data_1wyo_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 1wyo _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.847 0.356 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.423 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 99.4 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.065 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -40.32 -60.37 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -48.31 -70.89 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 27' ' ' MET . 2.8 m-20 -47.08 -64.55 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.454 ' C ' ' O ' ' A' ' 26' ' ' ASP . 1.2 mmt -33.39 -41.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.3 mt -79.79 -46.63 16.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -53.02 -37.47 61.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.074 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.559 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 19.2 t90 -56.97 -51.03 70.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.9 t -71.99 -42.78 68.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -56.79 -17.08 7.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -110.07 -18.71 13.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.9 m -70.84 -65.63 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.484 HD12 ' CE2' ' A' ' 54' ' ' PHE . 0.4 OUTLIER -110.8 20.09 17.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 63.77 54.14 1.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.9 mm? -87.85 164.93 15.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -131.08 31.91 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.46 ' CD1' ' HB3' ' A' ' 44' ' ' GLN . 23.0 m-85 -71.59 129.23 38.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 62.1 p -101.89 -0.56 33.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.147 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -149.82 134.99 18.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.54 HG13 ' CE1' ' A' ' 112' ' ' PHE . 7.1 mm -54.25 -28.12 17.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -25.9 65.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.46 ' HB3' ' CD1' ' A' ' 39' ' ' TYR . 13.8 mm100 -58.77 -37.25 75.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.0 mt -54.84 -16.1 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.2 p -48.94 -37.07 18.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 t -45.95 -36.73 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 88.55 -40.88 3.05 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -34.89 -36.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.7 -53.98 33.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -55.46 -34.17 64.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.931 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.7 m -67.99 -41.96 81.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -67.01 -22.8 65.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.484 ' CE2' HD12 ' A' ' 35' ' ' LEU . 12.3 m-85 -74.14 -47.51 35.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 74.5 mmm -49.02 -46.36 43.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.35 -39.41 87.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.564 ' HA ' ' CD2' ' A' ' 131' ' ' TYR . 2.7 ttm -63.0 -58.2 8.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.548 HD21 ' CD1' ' A' ' 122' ' ' PHE . 26.9 mt -66.56 -63.61 1.03 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.405 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 5.3 m-85 -111.22 95.78 27.35 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.8 Cg_endo -69.79 143.49 50.89 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.95 1.05 87.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 11.7 m -95.82 -30.61 13.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.2 p -121.9 149.58 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.436 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 5.0 t-160 -109.17 107.27 17.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 65' ' ' LEU . 0.6 OUTLIER -71.66 -15.38 62.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.436 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -69.31 -39.08 78.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -82.09 -3.74 55.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.2 t -88.69 149.58 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -114.53 95.8 5.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -74.72 -16.06 60.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -102.15 14.94 30.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.57 131.57 25.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.8 pttm -125.85 -31.56 2.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.2 mt -91.1 177.69 6.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.536 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 26.9 tt0 -76.95 -47.3 21.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -55.57 -33.11 63.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.48 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 25.6 mt-10 -66.36 -23.09 66.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.536 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 15.4 m-30 -73.62 -36.94 65.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.44 -48.95 70.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -47.51 -54.92 10.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 77' ' ' GLU . 3.6 m-20 -53.71 -41.08 66.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -66.02 -38.54 88.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.9 mttt -49.79 -65.98 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.4 p -53.22 -36.37 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.093 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.3 tp -64.07 -43.71 94.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -53.69 -33.7 56.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.69 93.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.43 -28.28 66.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -70.83 -56.53 6.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -67.42 -32.76 73.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -48.1 -48.8 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 3.0 ptm -87.7 -45.98 9.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.61 38.21 0.37 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.7 t -73.33 122.8 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 111.127 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -89.46 25.31 1.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.474 ' HG3' ' CH2' ' A' ' 117' ' ' TRP . 2.8 tmtm? -108.32 89.13 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 98' ' ' ILE . 27.0 mm -50.0 141.63 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.464 ' N ' HG22 ' A' ' 97' ' ' ILE . 54.2 mt -105.31 97.71 14.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.741 . . . . 0.0 111.112 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 82.7 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.685 2.257 . . . . 0.0 112.379 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 102' ' ' LYS . 62.8 t -72.16 -57.68 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.17 -27.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 100' ' ' VAL . 10.7 mttp -99.01 -53.86 3.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 18.0 mt -46.99 -47.65 21.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.453 ' O ' ' C ' ' A' ' 105' ' ' LYS . 35.7 m -52.81 -46.65 51.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 104' ' ' VAL . 41.7 mmtt -34.03 -40.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.13 25.44 19.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.413 ' HE2' ' N ' ' A' ' 107' ' ' LYS . 6.9 mmpt? -67.99 168.52 11.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.553 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 4.0 t80 -103.56 -15.1 15.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.468 ' C ' ' CD ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -89.91 -71.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -45.38 -21.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -81.1 -51.26 8.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.553 ' CD2' ' O ' ' A' ' 108' ' ' PHE . 3.4 m-85 -43.61 -50.17 7.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -56.1 -61.71 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -43.84 -70.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.435 HG23 ' N ' ' A' ' 116' ' ' GLN . 7.7 tp -50.78 -47.56 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.468 ' CG ' ' O ' ' A' ' 112' ' ' PHE . 1.2 mm-40 -44.19 -47.94 9.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.474 ' CH2' ' HG3' ' A' ' 96' ' ' LYS . 5.0 t90 -82.66 -19.37 38.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -65.63 -23.44 66.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.559 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 6.2 tmtm? -73.25 -65.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -56.19 -30.25 62.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -70.79 -20.93 62.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.548 ' CD1' HD21 ' A' ' 58' ' ' LEU . 1.3 t80 -86.79 -30.41 21.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -76.88 -27.92 55.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.69 -15.38 63.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.423 ' ND2' ' H ' ' A' ' 10' ' ' VAL . 0.9 OUTLIER -116.35 -39.45 3.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.448 ' CD2' ' CE1' ' A' ' 122' ' ' PHE . 45.5 t80 -65.83 114.3 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -93.21 -39.34 11.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.417 ' HA2' ' CE1' ' A' ' 126' ' ' TYR . . . 147.65 52.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.17 150.78 30.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -86.98 131.71 34.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.564 ' CD2' ' HA ' ' A' ' 57' ' ' MET . 59.2 t80 -130.72 123.45 29.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.637 0.732 . . . . 0.0 110.878 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.863 0.363 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.4 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 24' ' ' ARG . 88.4 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.878 0.371 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 23' ' ' SER . 22.3 ptt-85 -36.04 -45.69 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -54.35 -64.81 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -56.72 -54.0 51.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.7 mmt -44.48 -44.94 8.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.426 HD13 ' CA ' ' A' ' 41' ' ' LYS . 28.4 mt -77.76 -35.45 51.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.55 -43.43 97.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.451 ' CD2' ' HG2' ' A' ' 119' ' ' LYS . 26.9 t90 -56.2 -47.21 78.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.8 t -71.49 -48.02 55.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -55.7 -19.22 10.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -106.2 -34.28 7.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 m -54.62 -68.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.829 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.494 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 3.4 mt -108.93 21.34 17.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 59.84 54.87 4.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.494 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.6 mm? -84.49 170.31 13.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -133.42 40.69 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -85.48 112.38 20.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.0 m -79.24 -16.88 55.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.187 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.426 ' CA ' HD13 ' A' ' 28' ' ' LEU . 34.1 mttm -139.53 147.07 40.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.518 HG13 ' CE1' ' A' ' 112' ' ' PHE . 8.4 mm -58.77 -44.58 90.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -48.76 -35.57 14.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -51.59 -49.27 62.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 46' ' ' CYS . 15.4 mt -40.44 -30.09 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 45' ' ' LEU . 30.2 p -34.51 -40.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 46' ' ' CYS . 6.8 t -34.34 -48.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 104.62 -48.6 0.97 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -34.78 -54.91 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.62 -55.95 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -55.52 -42.28 74.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.948 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 14.4 m -61.99 -53.68 52.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -51.58 -27.25 10.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.442 ' CE2' HD12 ' A' ' 35' ' ' LEU . 6.9 m-85 -72.81 -42.99 63.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 52.9 mmm -53.17 -41.27 65.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.48 -46.36 86.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.6 ttm -59.65 -57.71 11.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 39.7 mt -59.69 -66.56 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.571 ' CD2' ' HE1' ' A' ' 92' ' ' MET . 2.3 m-85 -109.51 107.21 59.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.681 0.753 . . . . 0.0 110.879 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.3 Cg_endo -69.8 141.88 46.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.75 28.01 73.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.471 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.9 p -108.58 -34.7 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.361 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.42 HG12 ' CD1' ' A' ' 65' ' ' LEU . 4.0 p -121.45 158.44 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.418 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 4.1 t-160 -111.66 98.01 7.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.42 ' CD1' HG12 ' A' ' 63' ' ' VAL . 3.7 mp -64.9 -35.16 80.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.418 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -49.64 -38.7 33.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.404 ' O ' ' NE2' ' A' ' 80' ' ' HIS . 11.4 mtpt -82.32 -21.17 36.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.3 t -71.58 133.19 32.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.474 ' HE2' ' CG ' ' A' ' 80' ' ' HIS . 27.7 mtmt -101.78 104.95 15.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -74.48 -41.12 61.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -82.76 40.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.02 119.59 19.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.135 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -115.25 -39.17 3.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.6 mt -78.26 164.57 24.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.502 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 2.6 tp10 -63.5 -60.53 3.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.504 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.0 p80 -45.38 -46.4 13.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.504 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 28.7 mt-10 -48.17 -43.83 31.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.502 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 21.9 m-85 -55.35 -46.75 76.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.954 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' PHE . 3.2 mp -60.24 -53.64 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.474 ' CG ' ' HE2' ' A' ' 69' ' ' LYS . 36.4 t60 -39.39 -51.32 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 81' ' ' ASN . 0.3 OUTLIER -59.87 -35.93 75.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 79' ' ' ILE . 18.9 m-85 -73.91 -33.77 64.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -55.48 -59.66 4.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.1 p -60.36 -29.2 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.5 tp -67.42 -46.6 72.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.453 ' NE2' ' HB ' ' A' ' 98' ' ' ILE . 10.3 mm-40 -48.98 -38.31 22.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.95 -37.62 77.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.085 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.99 -34.94 79.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -67.58 -51.99 43.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 91' ' ' LYS . 8.2 mmmm -64.87 -44.49 89.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 90' ' ' LYS . 40.4 mttm -33.75 -44.46 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.571 ' HE1' ' CD2' ' A' ' 59' ' ' PHE . 14.2 ptp -98.26 -45.23 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.38 30.45 0.78 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 72.5 t -57.73 116.66 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -82.71 38.59 0.58 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.556 ' HG2' ' CH2' ' A' ' 117' ' ' TRP . 21.9 tptt -126.19 99.03 5.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.454 HG22 ' N ' ' A' ' 98' ' ' ILE . 19.0 mm -60.78 141.42 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.454 ' N ' HG22 ' A' ' 97' ' ' ILE . 69.0 mt -102.79 99.11 12.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.607 0.718 . . . . 0.0 111.123 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 83.2 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.752 2.301 . . . . 0.0 112.312 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 102' ' ' LYS . 87.4 t -73.83 -58.28 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.088 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -41.95 -24.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 100' ' ' VAL . 14.6 mttt -102.17 -47.42 4.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.2 mt -55.17 -48.93 73.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.962 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 22.1 m -54.03 -27.51 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -65.54 -27.63 68.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.88 35.06 20.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 108' ' ' PHE . 34.4 mttm -71.56 97.19 1.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.826 0.346 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.596 ' CE2' ' CZ ' ' A' ' 112' ' ' PHE . 5.0 t80 -34.59 -37.47 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.461 ' HA ' ' NE2' ' A' ' 109' ' ' GLN . 4.7 tp60 -74.58 -71.0 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -45.41 -21.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.405 ' N ' ' C ' ' A' ' 109' ' ' GLN . 2.4 m-80 -83.4 -41.7 17.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.596 ' CZ ' ' CE2' ' A' ' 108' ' ' PHE . 2.5 m-85 -52.11 -55.28 21.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -52.19 -42.7 63.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -63.04 -70.66 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.418 HG21 ' N ' ' A' ' 116' ' ' GLN . 7.9 tp -53.66 -27.77 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.418 ' N ' HG21 ' A' ' 115' ' ' ILE . 6.5 tp-100 -64.52 -53.32 49.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.556 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 3.8 t90 -71.94 -31.75 66.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -56.65 -35.77 68.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.451 ' HG2' ' CD2' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -62.53 -60.27 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.47 -42.42 91.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -64.3 -24.37 67.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -73.92 -40.72 62.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.03 -33.57 63.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.48 -30.47 62.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.072 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -105.77 -47.41 3.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -43.37 115.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 128' ' ' GLY . 10.5 t70 -114.43 77.28 1.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 127' ' ' ASP . . . 34.51 73.02 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.459 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -137.5 136.95 38.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -89.9 158.75 17.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -152.05 150.88 30.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 5.1 m120 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.433 ' CB ' ' SD ' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.821 0.343 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.6 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 24' ' ' ARG . 27.5 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.856 0.36 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 23' ' ' SER . 15.4 ptt-85 -34.58 -37.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 23' ' ' SER . 41.7 t-80 -64.38 -72.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -51.64 -48.03 63.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.8 mmt -48.67 -47.49 40.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 mt -72.35 -51.14 21.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.21 -44.21 32.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.565 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 16.3 t90 -52.62 -40.71 63.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.9 t -80.55 -46.26 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.167 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -57.67 -12.1 2.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -111.61 -33.37 6.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 m -58.07 -66.24 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.483 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 6.2 mt -108.84 17.38 21.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 64.06 54.93 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.483 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.6 mm? -86.08 165.79 16.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -130.9 31.86 4.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -72.1 125.83 28.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.422 ' C ' ' HG3' ' A' ' 41' ' ' LYS . 6.3 m -92.5 -5.52 51.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.422 ' HG3' ' C ' ' A' ' 40' ' ' THR . 27.3 mtmt -151.68 143.12 23.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.559 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 6.1 mm -58.5 -33.56 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.52 -26.45 65.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -60.94 -37.09 81.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.5 mt -53.14 -20.57 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 23.6 p -46.34 -34.97 4.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.1 m -45.19 -39.13 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 92.17 -38.23 3.23 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -35.48 -51.72 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 111.11 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.33 -58.0 9.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -46.89 -34.92 5.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 37.8 m -69.2 -54.48 14.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -55.11 -22.99 18.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -71.42 -43.34 66.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.1 mmm -58.84 -31.78 68.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -63.5 -45.75 89.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.6 ttp -67.78 -54.66 17.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.4 mt -61.47 -65.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.539 ' CD2' ' HE1' ' A' ' 92' ' ' MET . 2.3 m-85 -114.23 98.46 48.54 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.639 0.733 . . . . 0.0 110.867 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 144.27 53.61 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.355 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.1 15.37 71.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -107.3 -34.21 7.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.356 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.1 p -116.61 149.27 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -108.67 107.89 18.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mp -76.37 -32.97 58.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -49.15 -41.48 36.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -80.16 -20.74 44.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.9 t -70.23 135.98 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.9 mttm -103.17 100.57 10.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -71.67 -35.62 70.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -89.53 33.51 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.97 121.31 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.053 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 73' ' ' LYS . 2.1 tmmm? -122.45 -19.55 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.6 mt -94.46 162.02 13.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.558 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 56.9 tt0 -61.54 -60.51 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.428 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.6 p80 -47.03 -40.72 15.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 25.6 mt-10 -56.36 -35.93 68.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.558 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 20.7 m-85 -62.52 -38.13 88.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.8 mp -71.8 -48.41 51.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -44.84 -54.28 6.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -56.72 -30.1 63.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.503 ' CG ' HG21 ' A' ' 100' ' ' VAL . 10.3 m-85 -77.75 -35.85 51.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -52.28 -62.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.7 p -57.88 -38.92 68.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.093 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 30.3 tp -59.1 -45.67 90.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.455 ' NE2' ' HB ' ' A' ' 98' ' ' ILE . 7.5 mm-40 -51.48 -44.23 62.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.61 -40.64 69.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.32 -35.49 75.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.419 ' CE2' HD13 ' A' ' 98' ' ' ILE . 3.2 m-85 -64.22 -51.34 64.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -66.52 -41.53 88.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 90' ' ' LYS . 25.9 mttp -34.35 -36.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.539 ' HE1' ' CD2' ' A' ' 59' ' ' PHE . 12.6 ptp -107.28 -42.12 4.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 124.08 39.71 0.48 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.54 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.412 ' CG1' ' HB3' ' A' ' 96' ' ' LYS . 41.2 t -64.78 118.42 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 111.121 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -83.36 37.57 0.57 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.531 ' HG2' ' CH2' ' A' ' 117' ' ' TRP . 13.1 tptm -129.14 105.95 8.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.456 HG23 ' N ' ' A' ' 98' ' ' ILE . 80.8 mt -66.37 140.24 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.456 ' N ' HG23 ' A' ' 97' ' ' ILE . 62.4 mt -99.69 100.52 11.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 111.133 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 83.6 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.362 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.503 HG21 ' CG ' ' A' ' 82' ' ' PHE . 91.0 t -75.07 -52.22 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -48.31 -23.52 0.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -102.48 -47.27 4.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.407 HD13 ' CZ ' ' A' ' 82' ' ' PHE . 15.4 mt -53.48 -47.29 69.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.9 m -53.3 -35.3 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -52.92 -34.15 53.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.31 3.77 64.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.515 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -45.68 106.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.329 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.587 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 2.4 t80 -44.74 -38.7 4.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.412 ' C ' ' N ' ' A' ' 111' ' ' ASN . 21.7 tp60 -67.41 -71.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.74 -21.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.412 ' N ' ' C ' ' A' ' 109' ' ' GLN . 3.8 m-80 -81.35 -42.15 20.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.587 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 3.7 m-85 -56.34 -46.38 79.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -56.58 -48.4 77.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -59.49 -70.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 116' ' ' GLN . 9.5 tp -49.89 -46.78 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 18.1 tp60 -48.86 -51.0 32.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.531 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 10.5 t90 -77.83 -20.6 52.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -66.95 -25.95 66.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.565 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 24.3 tptt -71.0 -60.96 1.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -57.32 -46.18 83.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -59.38 -19.82 49.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.73 ' CZ ' ' CD2' ' A' ' 126' ' ' TYR . 0.3 OUTLIER -86.34 -30.43 22.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -77.52 -34.52 53.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -52.96 -30.1 32.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -108.53 -44.59 4.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.73 ' CD2' ' CZ ' ' A' ' 122' ' ' PHE . 39.3 t80 -56.97 129.95 43.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -115.17 -41.24 3.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 155.88 58.47 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.19 107.6 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.35 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.87 132.72 54.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -124.54 135.36 53.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.874 0.368 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.3 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 26' ' ' ASP . 66.4 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.895 0.378 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 23' ' ' SER . 5.3 ptt180 -34.89 -35.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 23' ' ' SER . 52.3 t-80 -65.01 -52.29 56.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 23' ' ' SER . 14.6 m-20 -68.9 -48.19 63.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.1 mmt -52.78 -46.09 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 mt -76.68 -50.88 12.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.67 -36.1 15.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.569 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 11.4 t90 -62.32 -44.56 96.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.3 t -74.14 -44.04 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -50.54 -25.35 4.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.8 -36.53 9.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.7 m -47.56 -75.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.495 HD11 ' CD2' ' A' ' 54' ' ' PHE . 2.3 mt -106.16 21.77 16.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 62.94 54.96 2.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.477 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 3.2 mm? -87.72 161.83 17.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -129.45 41.92 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -81.66 131.93 35.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.1 t -95.35 -9.31 33.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.105 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -150.2 147.31 27.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.571 HG13 ' CE1' ' A' ' 112' ' ' PHE . 6.2 mm -55.81 -48.52 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 9.4 pt-20 -43.2 -35.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.418 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 14.7 mm-40 -52.31 -42.64 63.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.1 mt -49.99 -32.79 16.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' SER . 14.3 p -40.42 -33.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' CYS . 2.8 p -36.0 -44.53 0.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 103.81 -48.58 1.0 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.504 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 50' ' ' ALA . . . -36.9 -65.21 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.762 0.315 . . . . 0.0 111.08 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 49' ' ' ALA . . . -35.73 -66.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.067 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -42.49 -39.32 2.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.463 ' CB ' HG23 ' A' ' 68' ' ' VAL . 7.7 m -66.97 -51.0 60.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.877 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -57.67 -23.29 50.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.495 ' CD2' HD11 ' A' ' 35' ' ' LEU . 10.0 m-85 -71.93 -42.27 66.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 27.8 mmm -58.45 -39.69 80.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -61.53 -36.91 81.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.0 ttm -69.34 -56.52 7.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 39.5 mt -66.67 -58.97 4.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.489 ' CG ' ' HE3' ' A' ' 92' ' ' MET . 1.7 m-85 -111.93 96.92 35.96 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.641 0.734 . . . . 0.0 110.95 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 144.62 54.71 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.706 2.27 . . . . 0.0 112.312 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.55 26.57 68.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.445 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.9 t -112.99 -35.41 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.6 p -116.48 150.78 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.618 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 2.0 t60 -101.85 117.37 34.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.59 -31.73 18.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.579 ' HB2' ' CD2' ' A' ' 64' ' ' HIS . 13.2 mmm180 -56.54 -18.82 12.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.618 ' HG3' ' CD2' ' A' ' 64' ' ' HIS . 15.1 mttt -100.93 -9.26 21.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.463 HG23 ' CB ' ' A' ' 52' ' ' CYS . 55.9 t -83.41 144.2 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.439 ' HZ2' ' CG ' ' A' ' 80' ' ' HIS . 13.3 mttp -106.64 103.33 12.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -76.34 -30.51 57.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -95.63 33.57 1.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.44 132.66 48.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -129.24 -30.63 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.5 mt -83.19 166.31 18.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 14.6 tt0 -70.49 -57.52 4.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -48.47 -38.51 20.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.813 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -57.58 -32.51 67.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.568 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 15.9 m-30 -62.28 -42.37 99.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.2 mp -67.35 -46.32 83.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.439 ' CG ' ' HZ2' ' A' ' 69' ' ' LYS . 71.1 t60 -46.58 -59.01 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.91 -32.6 61.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.552 ' CZ ' HD12 ' A' ' 103' ' ' LEU . 6.0 m-85 -71.77 -41.39 68.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -52.54 -71.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.5 p -44.97 -37.52 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.3 tp -66.7 -37.85 85.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -55.18 -41.26 71.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.44 -39.93 70.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.93 -36.1 74.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -62.49 -54.11 44.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' MET . 62.2 mmtt -66.2 -39.24 89.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 90' ' ' LYS . 3.1 mtpm? -34.15 -35.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.489 ' HE3' ' CG ' ' A' ' 59' ' ' PHE . 12.6 ptp -108.16 -47.16 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.845 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 135.52 29.62 0.37 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.52 115.5 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.338 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -84.69 26.29 0.83 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.554 ' HG3' ' CZ2' ' A' ' 117' ' ' TRP . 2.5 tmtm? -111.41 92.82 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.3 mm -60.28 129.52 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 52.4 mt -86.34 109.68 25.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 111.148 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 81.11 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.331 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 102' ' ' LYS . 42.9 t -74.86 -62.6 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -40.36 -25.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 100' ' ' VAL . 16.2 mttm -99.18 -51.02 3.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.552 HD12 ' CZ ' ' A' ' 82' ' ' PHE . 12.2 mt -51.53 -50.55 59.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 22.6 m -51.66 -35.27 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -50.47 -43.3 55.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 107' ' ' LYS . . . 106.88 -14.26 41.25 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.475 ' N ' ' HD2' ' A' ' 107' ' ' LYS . 5.9 mptt -34.18 121.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.555 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 2.4 t80 -60.95 -21.24 63.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 111' ' ' ASN . 4.7 tp60 -84.18 -71.06 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.55 -23.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 109' ' ' GLN . 4.0 m-80 -81.46 -46.53 14.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.571 ' CE1' HG13 ' A' ' 42' ' ' ILE . 3.3 m-85 -52.32 -50.78 61.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -52.31 -38.47 58.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -73.48 -69.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 116' ' ' GLN . 10.1 tp -52.54 -25.57 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 5.1 tp-100 -68.81 -46.06 69.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.554 ' CZ2' ' HG3' ' A' ' 96' ' ' LYS . 5.1 t90 -78.06 -31.25 50.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -57.65 -27.47 62.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.569 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 17.6 tptm -63.04 -68.28 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.4 pttt -54.83 -44.02 73.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -56.01 -34.94 66.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -67.72 -38.67 83.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -71.22 -38.78 71.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.58 -32.25 18.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -102.32 -45.71 5.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -63.93 129.5 40.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.06 -40.37 3.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 160.2 41.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.505 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -90.41 176.88 6.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.99 133.36 55.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -136.9 145.95 44.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.955 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 4.1 m120 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 110.912 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.477 ' N ' ' HE3' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.872 0.367 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.5 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.143 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.824 0.345 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -40.07 -43.44 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -55.32 -71.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 29' ' ' ALA . 84.7 m-20 -52.66 -58.3 7.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.7 mmt -40.93 -42.41 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.9 mt -81.31 -29.34 34.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -67.79 -39.52 84.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.05 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.558 ' CD1' ' HE3' ' A' ' 119' ' ' LYS . 26.4 t90 -62.14 -38.18 88.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.5 t -81.88 -42.34 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -62.01 -20.59 64.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.57 -22.02 14.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.6 m -73.4 -63.52 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.651 ' C ' ' CD2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -114.53 39.28 2.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.651 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 6.4 p80 40.83 54.34 3.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.49 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -81.56 154.89 25.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -123.13 36.19 4.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.516 ' CE2' HD22 ' A' ' 45' ' ' LEU . 21.4 m-85 -75.59 125.0 28.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 29.5 m -88.64 -11.49 45.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -150.97 153.58 35.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.495 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 3.6 mm -63.44 -31.24 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.402 ' O ' ' SG ' ' A' ' 46' ' ' CYS . 6.2 pt-20 -62.69 -25.83 68.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -64.18 -37.2 86.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.516 HD22 ' CE2' ' A' ' 39' ' ' TYR . 21.1 mt -49.34 -31.68 9.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 47' ' ' SER . 31.8 p -36.61 -35.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.504 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 79.3 p -31.58 -51.58 0.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.96 -36.26 4.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.01 -56.53 13.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.777 0.322 . . . . 0.0 111.13 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -40.49 -58.39 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -49.16 -39.45 29.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.448 ' CB ' HG23 ' A' ' 68' ' ' VAL . 13.3 m -63.19 -60.13 3.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -46.06 -25.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.405 ' CE2' HD11 ' A' ' 35' ' ' LEU . 7.6 m-85 -75.13 -47.47 28.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.441 ' HG3' ' CD1' ' A' ' 85' ' ' LEU . 75.8 mmm -46.13 -46.78 17.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.52 -45.47 93.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.553 ' HA ' ' CD2' ' A' ' 131' ' ' TYR . 4.0 ttm -54.19 -60.55 3.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.454 HD22 ' CD2' ' A' ' 122' ' ' PHE . 21.9 mt -59.49 -58.65 7.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.57 ' CD2' ' HE2' ' A' ' 92' ' ' MET . 3.0 m-85 -118.57 108.85 40.81 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.656 0.741 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.89 46.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.267 . . . . 0.0 112.389 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.92 29.51 73.64 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.9 p -111.49 -31.84 6.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.86 0.362 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.426 HG12 ' CD1' ' A' ' 65' ' ' LEU . 2.8 p -124.1 162.51 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 66' ' ' ARG . 3.1 t-160 -113.18 95.7 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.426 ' CD1' HG12 ' A' ' 63' ' ' VAL . 1.8 mp -62.95 -29.69 70.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.558 ' HB2' ' CD2' ' A' ' 64' ' ' HIS . 7.0 mpt_? -58.75 -38.51 78.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.419 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 0.7 OUTLIER -84.3 -15.47 46.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.448 HG23 ' CB ' ' A' ' 52' ' ' CYS . 29.0 t -66.34 129.9 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.519 ' HE3' ' CD2' ' A' ' 80' ' ' HIS . 19.8 mmtp -90.36 93.09 9.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -78.09 -34.43 50.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -100.25 31.81 3.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.11 122.19 14.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.056 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -115.67 -35.93 4.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.2 mt -82.65 168.77 16.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.561 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 24.9 tt0 -66.39 -57.83 6.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.414 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 2.7 p80 -49.45 -39.4 33.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.414 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 26.6 mt-10 -57.96 -33.3 68.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 23.1 m-85 -61.8 -39.7 92.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 82' ' ' PHE . 4.7 mp -72.95 -48.5 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.519 ' CD2' ' HE3' ' A' ' 69' ' ' LYS . 24.8 t60 -33.81 -60.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 47' ' ' SER . 18.7 p30 -51.94 -41.9 62.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.498 ' CG ' HG22 ' A' ' 100' ' ' VAL . 8.1 m-85 -65.13 -36.39 84.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -56.02 -61.26 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.5 p -59.07 -31.17 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.441 ' CD1' ' HG3' ' A' ' 55' ' ' MET . 38.6 tp -68.42 -47.75 66.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -48.88 -35.62 15.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.12 -44.14 96.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.41 -28.9 69.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -69.24 -52.39 28.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 91' ' ' LYS . 43.3 mmtt -69.31 -39.89 77.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 90' ' ' LYS . 34.4 mttm -34.69 -52.87 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.57 ' HE2' ' CD2' ' A' ' 59' ' ' PHE . 3.7 ptm -88.84 -48.28 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.33 51.29 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.4 t -80.98 117.13 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 111.152 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -82.19 37.47 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.558 ' HG2' ' CH2' ' A' ' 117' ' ' TRP . 31.8 tptt -124.54 109.21 12.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.467 HG21 ' N ' ' A' ' 98' ' ' ILE . 23.2 mm -68.93 142.07 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.125 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.467 ' N ' HG21 ' A' ' 97' ' ' ILE . 70.4 mt -103.43 96.84 9.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.686 0.755 . . . . 0.0 111.172 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 82.46 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.672 2.248 . . . . 0.0 112.371 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.498 HG22 ' CG ' ' A' ' 82' ' ' PHE . 61.1 t -71.46 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.109 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -41.6 -24.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 100' ' ' VAL . 12.0 mttt -99.69 -45.12 5.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.433 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 15.8 mt -57.73 -47.43 82.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.3 m -53.31 -26.57 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.19 -34.33 77.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.53 34.59 13.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.44 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -74.66 104.91 5.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.663 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 2.8 t80 -39.9 -34.94 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.502 ' C ' ' CD ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -71.05 -72.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -48.76 -21.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -79.39 -50.03 11.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.663 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 2.5 m-85 -46.34 -48.36 18.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -55.11 -61.73 2.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.407 ' CD1' HD13 ' A' ' 103' ' ' LEU . 5.4 t80 -43.35 -71.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 5.7 tp -51.7 -42.12 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.504 ' CG ' ' O ' ' A' ' 112' ' ' PHE . 33.5 mm-40 -52.74 -61.01 2.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.558 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 7.9 t90 -62.91 -29.99 71.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.4 ' HE2' ' CD2' ' A' ' 54' ' ' PHE . 1.6 t80 -58.82 -34.22 71.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.558 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 22.3 tptm -60.75 -62.9 1.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -57.31 -45.27 84.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -57.33 -29.05 63.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.454 ' CD2' HD22 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -73.08 -41.31 64.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -71.79 -32.03 67.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -55.25 -39.49 69.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.064 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -100.52 -46.92 5.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.415 ' CB ' ' O ' ' A' ' 122' ' ' PHE . 65.5 t80 -52.94 109.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -105.29 40.24 1.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 67.32 54.14 21.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 11.3 ptmm? -112.28 100.49 8.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.757 0.313 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -40.2 138.81 0.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.842 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.553 ' CD2' ' HA ' ' A' ' 57' ' ' MET . 33.8 t80 -150.59 114.11 4.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.622 0.725 . . . . 0.0 110.905 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.815 0.34 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 24' ' ' ARG . 6.7 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.843 0.354 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 23' ' ' SER . 4.9 ttt-85 -35.02 -40.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -58.9 -70.04 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 27' ' ' MET . 36.1 m-20 -50.07 -61.73 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' ASP . 3.4 mmt -36.44 -50.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.7 mt -69.91 -46.74 64.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.07 -46.2 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.574 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 14.3 t90 -52.44 -46.01 66.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -72.37 -45.2 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.076 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -61.14 -14.6 25.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -109.62 -31.45 7.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.7 m -58.62 -63.05 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.485 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 3.1 mt -113.49 18.15 17.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 63.89 53.71 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.485 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.5 mm? -85.61 158.62 20.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -119.22 34.03 5.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -76.85 123.61 26.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.9 m -93.18 -8.77 41.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -148.8 146.51 28.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.473 HG13 ' CE1' ' A' ' 112' ' ' PHE . 4.8 mm -58.04 -49.62 80.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -44.19 -33.39 1.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -56.52 -47.19 79.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 46' ' ' CYS . 19.1 mt -39.63 -29.34 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 47' ' ' SER . 30.1 p -37.4 -40.08 0.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' CYS . 13.1 m -35.09 -46.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 97.73 -44.12 1.87 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -34.29 -42.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.783 0.325 . . . . 0.0 111.078 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.52 -60.57 3.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -47.58 -43.19 25.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.0 m -61.01 -49.37 77.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -61.92 -23.06 66.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -72.88 -48.05 40.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 44.6 mmm -49.05 -37.74 21.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.77 -55.74 20.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.513 ' HG3' ' CG ' ' A' ' 131' ' ' TYR . 4.4 ttm -51.16 -57.58 8.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.5 -57.21 10.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -118.74 96.87 50.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.67 0.748 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 142.37 47.96 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.97 20.54 78.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.0 m -111.13 -34.28 6.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.852 0.358 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.9 p -116.78 154.0 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.51 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 4.5 t-160 -107.71 104.16 13.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 mp -73.57 -18.93 61.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.51 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 2.4 tpt180 -63.59 -38.05 89.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -84.62 -15.57 45.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.0 t -74.54 129.22 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.136 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.454 ' HE2' ' CD2' ' A' ' 80' ' ' HIS . 29.3 mttm -98.23 101.84 13.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -73.08 -36.76 66.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -86.54 39.8 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.74 131.39 38.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -130.79 -33.48 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.9 mt -80.85 164.18 22.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.567 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 15.4 tp10 -63.26 -61.74 2.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.422 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.7 p80 -47.07 -40.73 15.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.422 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 17.8 mt-10 -55.36 -32.65 62.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.567 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.0 m-85 -63.79 -43.81 95.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 82' ' ' PHE . 4.1 mp -65.67 -50.64 70.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.454 ' CD2' ' HE2' ' A' ' 69' ' ' LYS . 28.0 t60 -40.32 -57.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.74 -31.99 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.542 ' CZ ' HD11 ' A' ' 103' ' ' LEU . 8.9 m-85 -75.36 -30.63 60.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -56.99 -64.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.9 p -55.97 -36.03 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.8 tp -59.86 -48.97 79.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.49 ' O ' ' CD ' ' A' ' 90' ' ' LYS . 11.4 mm-40 -49.55 -40.94 40.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.77 -41.11 77.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.417 ' O ' ' SD ' ' A' ' 92' ' ' MET . . . -62.48 -32.22 73.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -64.95 -41.48 95.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -75.02 -33.72 61.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -38.9 -33.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.417 ' SD ' ' O ' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -109.84 -35.93 6.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.873 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.18 39.56 0.68 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.456 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 79.9 t -66.95 115.91 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -84.01 36.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.8 tptt -126.07 102.37 7.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.8 mm -67.36 126.3 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 46.2 mt -82.11 111.01 23.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 111.083 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 81.94 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 102' ' ' LYS . 97.4 t -74.82 -59.33 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -44.09 -22.48 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 100' ' ' VAL . 14.4 mttt -100.63 -50.13 3.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.542 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 16.6 mt -52.97 -47.11 68.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.413 ' CG1' HG13 ' A' ' 79' ' ' ILE . 17.6 m -54.68 -25.81 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -65.32 -30.87 71.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.31 23.8 46.43 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 108.94 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.59 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 2.1 t80 -44.2 -35.36 2.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -71.73 -70.75 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -48.22 -20.45 0.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -82.81 -42.0 18.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.59 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 2.9 m-85 -55.03 -50.34 69.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -54.96 -59.53 4.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -45.45 -70.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.408 ' CG2' ' N ' ' A' ' 116' ' ' GLN . 10.1 tp -50.35 -46.23 25.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.408 ' N ' ' CG2' ' A' ' 115' ' ' ILE . 13.3 mm-40 -48.37 -57.85 5.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -66.87 -28.78 68.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -60.72 -28.88 68.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.574 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 22.5 tptp -63.9 -61.58 2.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -58.54 -43.56 89.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -63.72 -22.4 66.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.494 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -77.9 -44.17 27.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.415 ' N ' ' CD1' ' A' ' 122' ' ' PHE . 14.2 t70 -73.11 -20.91 60.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.79 -27.03 68.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 126' ' ' TYR . 20.7 m-80 -117.02 -40.05 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.83 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.569 ' CE2' ' HA2' ' A' ' 128' ' ' GLY . 29.3 t80 -34.09 -66.06 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 59.26 37.5 23.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.569 ' HA2' ' CE2' ' A' ' 126' ' ' TYR . . . 54.5 49.96 58.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 129' ' ' LYS . 5.5 ptmt -95.31 113.06 24.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.37 133.84 34.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.513 ' CG ' ' HG3' ' A' ' 57' ' ' MET . 56.2 t80 -157.25 129.15 7.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.634 0.731 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.824 0.345 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.1 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.17 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 25' ' ' HIS . 7.3 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.928 0.394 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.09 -25.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' SER . 51.6 t60 -72.51 -56.33 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -67.19 -54.02 24.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -45.51 -40.69 8.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.0 mt -81.24 -46.75 14.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.36 -35.97 41.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.514 ' CD2' ' HD2' ' A' ' 119' ' ' LYS . 18.0 t90 -62.99 -41.06 99.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.427 ' CG1' ' HG ' ' A' ' 37' ' ' LEU . 66.4 t -78.4 -39.53 24.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -65.22 -12.38 50.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -112.84 -38.49 4.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.7 m -53.94 -58.55 6.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.488 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 2.8 mt -116.1 16.93 15.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 62.59 53.2 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.488 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 3.2 mm? -83.07 165.1 19.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -127.93 38.82 3.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -85.86 128.38 34.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 42.2 p -102.42 -3.39 27.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.137 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -145.76 130.59 18.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.546 HG13 ' CE1' ' A' ' 112' ' ' PHE . 7.3 mm -48.48 -39.81 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.22 -41.42 62.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' CYS . 10.4 mm100 -46.36 -50.18 16.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.4 mt -40.0 -27.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 47' ' ' SER . 27.7 p -39.3 -40.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' CYS . 20.4 t -34.3 -49.61 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 103.71 -48.43 1.01 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -34.22 -45.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.344 . . . . 0.0 111.076 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.08 -64.27 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -46.6 -36.3 6.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.2 m -64.92 -58.83 5.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -51.6 -25.36 6.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -69.26 -45.91 68.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 29.0 mmm -48.64 -37.81 19.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -68.07 -41.57 81.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 8.4 tpp -59.14 -53.49 57.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.557 HD22 ' CD2' ' A' ' 122' ' ' PHE . 9.9 mt -75.18 -66.96 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.517 ' CG ' ' HE3' ' A' ' 92' ' ' MET . 2.7 m-85 -104.09 95.82 8.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.684 0.754 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 142.77 48.92 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.97 23.25 78.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.528 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.4 m -113.01 -27.97 7.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 0.0 110.88 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.9 p -121.73 152.27 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -109.59 97.04 6.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.458 HD11 ' N ' ' A' ' 65' ' ' LEU . 3.3 mp -66.19 -35.86 81.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -49.43 -42.68 43.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.824 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -79.08 -14.0 59.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.6 t -80.55 143.49 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.567 ' HD2' ' CD2' ' A' ' 80' ' ' HIS . 3.4 mtpm? -108.51 105.27 14.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -73.4 -41.96 62.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -82.29 39.75 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.17 127.37 32.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 73' ' ' LYS . 7.2 tmtm? -126.73 -36.06 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.6 mt -78.53 161.79 26.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.435 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 34.4 tt0 -62.56 -63.11 1.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.4 ' NE2' ' HG3' ' A' ' 77' ' ' GLU . 5.4 p80 -45.8 -39.01 7.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.4 ' HG3' ' NE2' ' A' ' 76' ' ' HIS . 48.1 mt-10 -57.66 -38.76 75.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.4 m-85 -59.64 -39.59 84.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 82' ' ' PHE . 3.5 mp -67.08 -55.34 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.567 ' CD2' ' HD2' ' A' ' 69' ' ' LYS . 80.9 t60 -40.12 -51.09 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.98 -36.23 67.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.466 ' CG ' HG22 ' A' ' 100' ' ' VAL . 15.5 m-85 -77.31 -33.88 55.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -52.01 -60.17 3.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.1 p -61.9 -32.84 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.7 tp -65.16 -41.45 94.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -52.47 -37.33 56.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.04 -40.69 94.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.36 -34.16 74.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -65.77 -54.14 31.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 91' ' ' LYS . 66.5 mmtt -66.54 -44.39 82.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 90' ' ' LYS . 25.4 mttp -33.53 -57.84 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.517 ' HE3' ' CG ' ' A' ' 59' ' ' PHE . 5.4 ptm -76.89 -46.71 23.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.92 37.93 0.34 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.1 t -73.19 123.45 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.354 . . . . 0.0 111.144 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -90.89 36.98 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -123.92 111.36 15.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 82.3 mt -68.37 145.76 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 69.7 mt -105.39 101.07 29.29 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.727 . . . . 0.0 111.184 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 79.73 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.732 2.288 . . . . 0.0 112.312 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.466 HG22 ' CG ' ' A' ' 82' ' ' PHE . 97.2 t -70.75 -53.73 20.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -49.59 -29.84 7.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -95.48 -35.48 11.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.6 mt -63.99 -52.35 59.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.477 HG21 ' N ' ' A' ' 105' ' ' LYS . 26.2 m -51.43 -28.47 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.477 ' N ' HG21 ' A' ' 104' ' ' VAL . 10.9 mmpt? -56.89 -28.99 62.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 78.37 32.93 41.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.458 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 109' ' ' GLN . 60.6 mmtt -76.06 103.33 6.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.333 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.539 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 3.0 t80 -37.48 -32.75 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 107' ' ' LYS . 5.8 tp60 -75.51 -70.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -47.06 -21.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -81.94 -42.88 18.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.546 ' CE1' HG13 ' A' ' 42' ' ' ILE . 1.9 m-85 -53.2 -47.75 68.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -55.46 -48.55 74.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -60.06 -70.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 9.6 tp -51.13 -35.81 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.495 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 4.0 tp-100 -57.55 -57.29 13.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.476 ' HA ' ' CD ' ' A' ' 120' ' ' LYS . 18.3 t90 -71.8 -21.91 61.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -64.98 -31.09 72.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.514 ' HD2' ' CD2' ' A' ' 30' ' ' TRP . 17.5 tptm -71.45 -55.86 7.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.476 ' CD ' ' HA ' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -59.7 -39.84 85.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.917 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -68.9 -32.99 73.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.557 ' CD2' HD22 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -70.02 -36.26 74.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -76.02 -37.74 58.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -55.19 -33.68 63.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.092 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -98.02 -47.95 5.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -41.29 144.46 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -130.48 -44.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 143.47 72.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.81 145.7 49.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -80.3 132.24 35.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -137.74 140.07 40.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.8 m120 . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.57 0.7 . . . . 0.0 110.913 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.881 0.372 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.835 0.35 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.407 ' HA ' ' CG1' ' A' ' 42' ' ' ILE . 13.3 ptt180 -43.0 -43.76 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -63.89 -70.83 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 29' ' ' ALA . 74.2 m-20 -45.49 -66.43 0.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.6 mtp -41.57 -54.99 3.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.497 ' O ' ' ND2' ' A' ' 32' ' ' ASN . 42.7 mt -56.46 -29.77 62.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -71.76 -41.2 68.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.061 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.563 ' CE3' ' HG2' ' A' ' 119' ' ' LYS . 16.7 t90 -62.21 -51.19 68.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.4 t -68.56 -32.57 55.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.157 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 28' ' ' LEU . 77.4 m-20 -70.47 -15.98 62.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -109.63 -23.51 11.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -67.03 -66.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.535 HD13 ' CD2' ' A' ' 54' ' ' PHE . 0.9 OUTLIER -107.84 19.09 20.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 62.65 54.93 2.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.48 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 1.3 mm? -89.05 161.74 16.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -131.14 43.75 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -82.02 121.98 27.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.5 t -88.15 -12.4 44.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.189 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -148.04 140.82 24.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.453 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 4.6 mm -51.0 -47.38 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -44.18 -37.17 3.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' CYS . 10.8 mm100 -50.19 -49.06 53.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.9 mt -41.94 -23.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' GLN . 23.0 p -47.59 -38.41 14.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' CYS . 68.5 p -34.18 -47.9 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.7 -37.29 3.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.454 ' HA ' ' CG1' ' A' ' 68' ' ' VAL . . . -44.61 -50.8 9.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.762 0.315 . . . . 0.0 111.075 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.7 -66.1 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.07 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -42.63 -33.46 0.72 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 36.9 m -71.46 -50.64 29.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -54.85 -25.31 27.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.535 ' CD2' HD13 ' A' ' 35' ' ' LEU . 11.8 m-85 -70.73 -48.89 52.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 69.3 mmm -50.81 -35.79 34.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -66.51 -48.1 70.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.4 ttm -57.55 -59.36 5.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.9 mt -64.92 -62.31 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.569 ' CZ ' ' HE1' ' A' ' 92' ' ' MET . 2.1 m-85 -107.96 96.43 17.65 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.679 0.752 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 144.11 53.02 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.244 . . . . 0.0 112.339 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.86 28.63 72.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 23.0 m -116.88 -26.56 6.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.5 p -123.22 148.97 26.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.433 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 1.8 t60 -104.32 93.81 5.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mp -67.81 -27.94 67.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.433 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -56.43 -39.61 73.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.499 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 10.6 mtpt -83.32 -13.33 55.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.454 ' CG1' ' HA ' ' A' ' 49' ' ' ALA . 66.8 t -79.39 134.33 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -88.24 107.44 18.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -80.41 -24.95 39.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -109.94 36.27 3.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.44 130.03 34.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 pttm -127.16 -36.61 2.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.3 mt -87.43 169.74 11.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.571 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 34.7 tt0 -68.53 -53.66 21.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -54.25 -28.9 44.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -70.43 -23.98 62.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.571 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 20.8 m-85 -72.47 -31.0 65.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -83.06 -37.47 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.499 ' CD2' ' O ' ' A' ' 67' ' ' LYS . 77.1 t60 -46.72 -62.25 1.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -53.35 -33.58 54.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -72.85 -34.17 66.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -56.37 -69.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.1 p -52.35 -36.13 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.4 tp -60.94 -46.2 91.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.414 ' NE2' ' HB ' ' A' ' 98' ' ' ILE . 12.3 mm-40 -51.05 -36.52 40.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.12 -44.78 96.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.78 -35.05 68.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.066 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.22 -56.23 24.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 91' ' ' LYS . 0.6 OUTLIER -66.81 -40.02 87.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 90' ' ' LYS . 4.6 mtpm? -35.2 -50.55 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.569 ' HE1' ' CZ ' ' A' ' 59' ' ' PHE . 4.7 ptm -88.15 -46.09 9.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 134.81 47.07 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 38.4 t -91.35 114.44 28.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 111.159 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.26 29.53 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.449 ' HG3' ' CH2' ' A' ' 117' ' ' TRP . 6.5 tmtt? -106.13 105.12 15.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.8 mm -66.37 131.32 32.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.414 ' HB ' ' NE2' ' A' ' 86' ' ' GLN . 80.2 mt -93.11 107.09 22.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.738 . . . . 0.0 111.15 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 98' ' ' ILE . 53.5 Cg_endo -69.74 82.54 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 102' ' ' LYS . 25.7 t -74.62 -62.87 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -40.64 -25.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 100' ' ' VAL . 19.8 mttt -97.92 -50.52 4.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.0 mt -52.61 -48.73 66.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.1 m -52.97 -37.36 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -53.37 -23.58 9.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.17 36.46 60.17 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 109' ' ' GLN . 6.4 mmmm -78.15 101.01 6.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.515 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 2.5 t80 -35.27 -31.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 107' ' ' LYS . 2.9 tm0? -76.64 -72.55 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.33 -22.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 109' ' ' GLN . 2.7 m-80 -81.58 -47.91 12.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.515 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 2.8 m-85 -48.73 -49.17 39.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -56.72 -44.71 81.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -60.77 -70.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 8.8 tp -51.9 -38.67 23.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.449 ' CG ' ' O ' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -46.72 -50.35 18.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.449 ' CH2' ' HG3' ' A' ' 96' ' ' LYS . 11.2 t90 -81.62 -39.64 24.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -47.27 -41.94 19.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.563 ' HG2' ' CE3' ' A' ' 30' ' ' TRP . 1.8 tmtt? -55.41 -40.52 71.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -71.87 -44.89 63.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -51.55 -28.71 14.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.586 ' CE1' ' CD2' ' A' ' 126' ' ' TYR . 5.1 t80 -73.24 -43.44 61.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -75.13 -25.99 58.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.45 -32.43 73.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -108.27 -48.13 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.586 ' CD2' ' CE1' ' A' ' 122' ' ' PHE . 19.2 t80 -54.32 101.62 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -86.21 -44.79 11.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 162.31 50.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.28 147.63 31.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -88.05 144.95 26.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -143.32 155.28 44.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 4.6 m120 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.71 . . . . 0.0 110.889 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.882 0.372 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.9 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.959 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 24' ' ' ARG . 6.3 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.893 0.378 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 23' ' ' SER . 20.7 ptt180 -36.73 -49.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 26' ' ' ASP . 22.3 t60 -59.34 -69.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' HIS . 5.9 m-20 -37.13 -63.54 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' TRP . 5.0 mtp -48.44 -66.35 0.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.444 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 23.8 mt -43.45 -31.19 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.88 -36.06 59.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.108 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.546 ' CE3' HG23 ' A' ' 31' ' ' VAL . 3.1 t90 -67.47 -51.48 50.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.546 HG23 ' CE3' ' A' ' 30' ' ' TRP . 89.4 t -67.94 -34.61 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.444 ' CG ' ' O ' ' A' ' 28' ' ' LEU . 79.6 m-20 -64.39 -22.53 66.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -105.35 -17.93 14.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.1 m -72.77 -65.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.545 HD12 ' CD2' ' A' ' 54' ' ' PHE . 3.2 mt -105.61 16.51 25.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 63.41 55.03 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.499 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 1.1 mm? -90.96 161.27 15.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -129.39 43.22 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -84.7 129.94 34.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.5 t -95.91 -5.93 40.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.162 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -155.25 140.18 17.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.507 HG13 ' CE1' ' A' ' 112' ' ' PHE . 4.9 mm -49.34 -47.66 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -42.97 -38.22 2.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' CYS . 12.8 mm100 -51.17 -47.94 62.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 46' ' ' CYS . 14.4 mt -39.67 -27.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' GLN . 29.0 p -37.56 -38.73 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.438 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 5.0 t -38.57 -46.51 1.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 94.82 -42.61 2.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.21 -42.03 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.771 0.32 . . . . 0.0 111.061 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.71 -53.76 54.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -51.46 -35.81 41.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 46.3 m -64.57 -55.57 19.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -52.41 -28.97 22.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.915 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.545 ' CD2' HD12 ' A' ' 35' ' ' LEU . 9.3 m-85 -67.46 -33.88 76.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 84.0 mmm -68.13 -29.81 68.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -79.47 -38.66 34.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.1 ptm -68.22 -38.82 82.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.473 HD22 ' CD2' ' A' ' 122' ' ' PHE . 21.8 mt -84.13 -60.59 2.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.518 ' CG ' ' HE2' ' A' ' 92' ' ' MET . 0.2 OUTLIER -113.32 98.75 47.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.662 0.744 . . . . 0.0 110.911 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 143.77 51.95 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.369 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.63 24.49 76.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.513 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.7 m -115.5 -34.84 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.3 p -119.03 151.06 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -111.03 98.52 7.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.1 mp -66.54 -27.85 68.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -42.87 65.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.14 -13.31 59.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.6 t -81.65 143.62 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.169 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -107.8 107.31 18.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -76.15 -37.94 57.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -86.35 33.48 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.59 131.11 46.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.79 -32.94 1.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 76.4 mt -80.5 168.42 18.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -70.41 -57.38 4.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -53.41 -32.61 50.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -61.84 -36.37 81.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.438 ' CD1' ' HA ' ' A' ' 47' ' ' SER . 24.0 m-85 -63.99 -37.64 88.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.42 HG13 ' CG1' ' A' ' 100' ' ' VAL . 3.5 mp -69.47 -49.37 60.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -46.88 -54.41 10.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.96 -32.92 48.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.512 ' CG ' HG21 ' A' ' 100' ' ' VAL . 12.4 m-85 -74.96 -41.59 59.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -44.91 -63.69 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.2 p -56.68 -39.06 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 22.1 tp -58.59 -43.09 89.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -55.05 -38.14 67.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.64 -43.95 85.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.81 -35.44 72.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -62.31 -56.85 14.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 91' ' ' LYS . 43.6 mmtm -64.25 -42.24 96.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 90' ' ' LYS . 9.2 mtpp -37.58 -45.67 0.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.518 ' HE2' ' CG ' ' A' ' 59' ' ' PHE . 10.7 ptp -89.01 -48.05 7.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.406 ' N ' ' HG3' ' A' ' 92' ' ' MET . . . 134.67 30.78 0.37 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.5 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.429 ' CG2' ' SD ' ' A' ' 92' ' ' MET . 62.1 t -71.94 117.07 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.119 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -87.79 27.28 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.41 ' CD ' ' C ' ' A' ' 96' ' ' LYS . 4.0 tmtm? -108.74 107.42 17.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.41 HG23 ' N ' ' A' ' 98' ' ' ILE . 5.0 mp -69.0 140.13 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.41 ' N ' HG23 ' A' ' 97' ' ' ILE . 70.5 mt -99.54 107.29 44.71 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.618 0.723 . . . . 0.0 111.111 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 78.91 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.712 2.275 . . . . 0.0 112.31 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.512 HG21 ' CG ' ' A' ' 82' ' ' PHE . 32.4 t -66.61 -71.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 100' ' ' VAL . 2.3 mm-40 -31.11 -37.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 100' ' ' VAL . 16.7 mmtt -83.66 -60.35 2.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.3 mt -42.74 -53.96 4.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.8 m -43.53 -45.98 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.87 -38.17 34.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.54 27.9 18.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 109' ' ' GLN . 8.3 mtpm? -64.29 102.08 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.834 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.497 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 3.3 t80 -37.76 -28.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 107' ' ' LYS . 6.6 tp60 -80.83 -70.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -46.36 -20.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 109' ' ' GLN . 3.4 m-80 -83.95 -40.68 18.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.507 ' CE1' HG13 ' A' ' 42' ' ' ILE . 3.4 m-85 -55.58 -47.85 75.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -55.22 -42.5 73.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -66.1 -69.02 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 116' ' ' GLN . 9.0 tp -53.5 -30.09 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.487 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 6.5 tp60 -60.15 -50.65 72.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.481 ' HA ' ' CD ' ' A' ' 120' ' ' LYS . 3.6 t90 -84.4 -14.91 48.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -68.14 -31.42 70.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.519 ' HD2' ' CE2' ' A' ' 30' ' ' TRP . 16.8 tptp -70.56 -58.05 4.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.481 ' CD ' ' HA ' ' A' ' 117' ' ' TRP . 4.3 ptmt -54.35 -41.86 69.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -67.08 -33.57 75.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.473 ' CD2' HD22 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -64.21 -42.83 96.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -75.47 -30.77 60.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.811 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.19 -23.19 62.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -114.52 -45.65 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.508 ' CE2' ' HA2' ' A' ' 128' ' ' GLY . 61.6 t80 -44.11 107.45 0.09 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -78.23 -45.11 23.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.508 ' HA2' ' CE2' ' A' ' 126' ' ' TYR . . . 139.57 49.38 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.33 132.86 54.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.762 0.315 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -66.69 126.85 30.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -123.48 128.41 49.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.56 0.695 . . . . 0.0 110.89 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.409 ' N ' ' SD ' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.826 0.346 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.0 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 24' ' ' ARG . 2.4 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.836 0.351 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 23' ' ' SER . 18.2 mtm-85 -33.18 -68.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -39.52 -70.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 29' ' ' ALA . 5.8 m-20 -48.37 -63.52 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 26' ' ' ASP . 2.9 mmt -35.43 -43.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.3 mt -79.33 -36.27 39.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -61.7 -40.0 93.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.504 ' CD2' ' HD2' ' A' ' 119' ' ' LYS . 16.7 t90 -56.13 -55.15 36.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.4 t -70.86 -38.0 70.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -63.09 -11.66 21.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -115.26 -34.09 5.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.0 m -54.81 -64.96 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.487 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 3.0 mt -107.13 17.02 23.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 64.46 50.91 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.487 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 3.0 mm? -84.64 163.7 19.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -128.79 39.44 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.449 ' CD1' ' HB3' ' A' ' 44' ' ' GLN . 24.2 m-85 -82.43 118.96 23.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 66.7 p -89.17 -11.3 44.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.128 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -140.49 133.24 28.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.561 HG13 ' CE1' ' A' ' 112' ' ' PHE . 20.7 mm -48.19 -39.41 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -51.58 -37.38 49.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 46' ' ' CYS . 20.3 mm-40 -46.31 -51.06 15.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.435 ' CD1' HD12 ' A' ' 115' ' ' ILE . 23.8 mt -39.01 -26.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 44' ' ' GLN . 28.5 p -41.8 -40.15 1.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' CYS . 26.2 m -33.98 -44.07 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.787 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 99.86 -51.95 1.04 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -34.07 -60.09 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.826 0.346 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.37 -59.21 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -49.55 -43.2 45.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.7 m -64.22 -52.84 56.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.427 ' OE1' ' CE1' ' A' ' 131' ' ' TYR . 0.6 OUTLIER -53.36 -27.23 22.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -69.59 -46.37 66.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 43.3 mmm -46.17 -38.81 8.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.11 -39.5 75.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.836 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.2 tpp -55.2 -50.13 70.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.455 ' CD2' ' HB2' ' A' ' 126' ' ' TYR . 41.1 mt -82.51 -62.91 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.525 ' CD2' ' HE3' ' A' ' 92' ' ' MET . 1.5 m-85 -102.68 96.83 8.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.731 . . . . 0.0 110.874 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 142.44 47.97 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.669 2.246 . . . . 0.0 112.389 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.77 26.5 73.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.456 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.0 m -111.63 -37.41 5.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.839 0.352 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.4 p -112.91 146.6 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -99.96 93.32 5.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 65' ' ' LEU . 2.0 mp -62.31 -38.44 89.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.83 -45.58 7.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -75.68 -25.18 56.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 92.9 t -66.65 133.31 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.544 ' HE2' ' CD2' ' A' ' 80' ' ' HIS . 35.1 mttm -100.75 105.59 16.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -73.88 -46.37 45.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -81.98 40.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.44 125.46 26.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.098 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.8 tttm -123.79 -37.78 2.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.8 mt -77.97 163.76 25.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -63.87 -63.04 1.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -47.92 -37.07 13.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -55.83 -40.96 73.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -60.51 -40.23 90.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 82' ' ' PHE . 3.5 mp -67.06 -53.28 35.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.544 ' CD2' ' HE2' ' A' ' 69' ' ' LYS . 39.9 t60 -39.72 -49.68 2.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.56 -33.15 73.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.488 ' CG ' HG21 ' A' ' 100' ' ' VAL . 12.8 m-85 -74.58 -36.9 63.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -53.0 -59.74 4.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.1 p -58.16 -36.15 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.5 tp -60.43 -48.67 80.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.439 ' NE2' ' HB ' ' A' ' 98' ' ' ILE . 11.3 mm-40 -45.95 -40.14 9.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.05 77.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.36 87.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.471 ' CG ' HD13 ' A' ' 98' ' ' ILE . 3.4 m-85 -65.24 -41.55 94.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 91' ' ' LYS . 26.1 mmtp -75.62 -39.12 58.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 90' ' ' LYS . 14.4 mtpt -34.24 -37.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.525 ' HE3' ' CD2' ' A' ' 59' ' ' PHE . 15.3 ptp -105.32 -46.74 4.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.92 24.25 0.81 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.6 t -52.89 113.67 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 0.0 111.168 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -83.44 35.04 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.454 ' HG3' ' CZ3' ' A' ' 117' ' ' TRP . 2.5 tmtm? -113.63 86.23 2.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 98' ' ' ILE . 28.2 mm -47.15 135.7 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.099 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.471 HD13 ' CG ' ' A' ' 89' ' ' PHE . 67.4 mt -101.07 98.53 8.85 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.632 0.73 . . . . 0.0 111.11 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 81.68 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.36 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.488 HG21 ' CG ' ' A' ' 82' ' ' PHE . 65.7 t -72.07 -56.96 8.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -41.83 -24.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 100' ' ' VAL . 18.1 mttt -101.27 -53.98 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 28.2 mt -46.54 -44.8 18.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.5 m -60.28 -36.3 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -42.91 -33.21 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.26 31.5 19.5 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -77.57 -177.57 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.547 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 2.0 t80 -113.64 -33.85 5.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -69.23 -70.82 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.29 -23.3 1.34 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -79.99 -33.86 39.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.561 ' CE1' HG13 ' A' ' 42' ' ' ILE . 2.2 m-85 -63.35 -48.15 79.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -56.77 -56.34 22.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -49.42 -70.99 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.435 HD12 ' CD1' ' A' ' 45' ' ' LEU . 8.2 tp -52.51 -41.73 37.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.152 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 4.8 tp-100 -49.56 -54.8 16.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.454 ' CZ3' ' HG3' ' A' ' 96' ' ' LYS . 16.6 t90 -68.48 -47.44 67.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -47.37 -20.3 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.504 ' HD2' ' CD2' ' A' ' 30' ' ' TRP . 22.2 tptp -62.79 -61.78 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -69.84 -32.53 70.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.861 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -60.68 -29.37 69.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.438 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 0.5 OUTLIER -74.57 -49.02 23.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.404 ' N ' ' CD1' ' A' ' 122' ' ' PHE . 24.1 m-20 -66.64 -37.13 84.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.35 -40.81 50.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -94.23 -45.52 7.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.455 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 33.4 t80 -51.99 145.67 9.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -134.49 -49.68 0.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 167.34 51.92 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.521 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.74 110.11 19.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.759 0.314 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -54.1 151.85 6.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.863 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.427 ' CE1' ' OE1' ' A' ' 53' ' ' GLN . 58.2 t80 -155.18 127.76 7.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.651 0.738 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.797 0.332 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.1 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.9 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 -50.08 -48.25 53.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -53.1 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.18 -51.88 23.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.1 mmt -46.64 -50.52 17.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.5 mt -72.16 -31.4 65.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.13 88.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 34.8 t90 -55.08 -34.61 63.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.5 t -85.78 -38.32 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 -70.79 -6.21 36.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.23 -23.96 9.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.1 m -74.61 -62.35 1.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.664 ' C ' ' CD2' ' A' ' 36' ' ' HIS . 0.7 OUTLIER -113.35 36.65 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.664 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 6.5 p80 42.13 55.02 4.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.498 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 1.2 mm? -79.2 164.1 24.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -134.05 35.42 3.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.407 ' CE2' HD12 ' A' ' 37' ' ' LEU . 18.1 m-85 -75.42 131.57 40.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.0 m -91.37 -11.82 36.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.166 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -153.71 147.79 25.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.54 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 3.2 mm -52.75 -45.04 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -46.74 -38.5 10.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -50.03 -48.34 52.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.6 mt -41.32 -29.52 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 47' ' ' SER . 31.5 p -38.38 -35.83 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' CYS . 75.6 p -35.18 -42.66 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.22 -43.18 2.4 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -39.6 -51.56 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.309 . . . . 0.0 111.06 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.81 -63.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.087 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -42.55 -41.12 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.2 m -64.17 -53.25 52.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -56.09 -20.27 16.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.942 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -77.51 -44.69 27.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 38.8 mmm -52.41 -42.86 64.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -58.47 -49.46 77.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.517 ' HA ' ' CD2' ' A' ' 131' ' ' TYR . 3.3 ttm -58.18 -57.25 13.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.2 mt -64.04 -63.93 1.02 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.557 ' CD2' ' HE1' ' A' ' 92' ' ' MET . 5.1 m-85 -112.51 96.08 34.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.603 0.716 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 144.3 54.04 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.733 2.289 . . . . 0.0 112.369 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.25 17.38 78.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.543 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.7 t -110.51 -33.05 6.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.3 p -120.94 154.46 24.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.454 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 5.0 t-160 -111.46 105.7 14.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 65' ' ' LEU . 1.9 mp -72.53 -23.96 61.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.454 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 7.8 tpt180 -60.38 -35.99 77.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -84.82 -13.7 50.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.6 t -75.54 137.43 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -105.05 99.87 9.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -74.59 -32.6 62.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -90.62 35.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.92 137.19 55.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -132.39 -33.51 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.4 mt -87.83 166.13 14.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.498 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 38.5 tt0 -63.65 -62.28 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.438 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 6.6 p80 -43.58 -42.41 5.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.438 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 16.3 mt-10 -54.17 -39.96 67.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.498 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 17.3 m-85 -58.81 -40.27 83.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.435 HG13 ' CG1' ' A' ' 100' ' ' VAL . 3.9 mp -69.87 -51.47 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -38.42 -54.2 1.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.4 -41.31 84.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.523 ' CG ' HG22 ' A' ' 100' ' ' VAL . 11.5 m-85 -60.44 -46.52 89.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -44.94 -67.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.6 p -49.14 -37.64 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.4 tp -65.8 -37.07 85.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -55.63 -43.15 75.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.73 -40.99 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.21 -30.25 70.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.493 ' CD2' HG13 ' A' ' 94' ' ' VAL . 4.1 m-85 -70.92 -56.76 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 91' ' ' LYS . 24.4 mmtp -64.12 -41.99 97.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 90' ' ' LYS . 42.7 mttm -37.06 -39.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.557 ' HE1' ' CD2' ' A' ' 59' ' ' PHE . 7.3 ptp -98.75 -42.16 7.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 124.4 22.68 2.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.493 HG13 ' CD2' ' A' ' 89' ' ' PHE . 81.2 t -51.71 117.43 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 111.075 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -83.1 37.67 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.3 tptt -131.89 104.27 6.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 26.4 mm -66.89 143.88 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 72.6 mt -96.6 104.74 19.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 0.0 111.13 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 80.1 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.384 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.523 HG22 ' CG ' ' A' ' 82' ' ' PHE . 84.0 t -72.65 -60.48 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.053 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -37.27 -28.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 100' ' ' VAL . 18.2 mttt -98.53 -55.13 2.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.5 mt -44.45 -50.9 9.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.8 m -50.36 -38.98 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -53.43 -36.87 62.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 88.53 28.27 22.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.493 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 109' ' ' GLN . 42.0 mttp -67.59 103.61 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.54 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 1.8 t80 -38.53 -29.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 107' ' ' LYS . 1.9 tm0? -75.85 -72.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -48.73 -21.3 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -80.13 -40.63 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.523 ' CE1' HG13 ' A' ' 42' ' ' ILE . 3.1 m-85 -58.02 -50.28 73.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -53.6 -46.04 70.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -64.04 -70.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.414 HG21 ' CG2' ' A' ' 42' ' ' ILE . 9.1 tp -50.04 -32.45 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 3.4 tp-100 -60.66 -57.12 14.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 31.8 t90 -68.09 -43.04 79.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -48.11 -24.85 1.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -67.92 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 18.5 pttt -61.02 -22.6 64.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -73.74 -19.45 60.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.478 ' O ' ' CB ' ' A' ' 126' ' ' TYR . 0.3 OUTLIER -85.29 -32.92 22.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -79.3 -34.12 42.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.05 -21.64 66.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -109.63 -48.19 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.478 ' CB ' ' O ' ' A' ' 122' ' ' PHE . 54.0 t80 -49.55 111.42 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.09 -67.93 0.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.441 ' HA2' ' CE1' ' A' ' 126' ' ' TYR . . . 162.42 46.75 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.22 142.76 38.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.15 115.58 13.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.517 ' CD2' ' HA ' ' A' ' 57' ' ' MET . 32.7 t80 -118.97 127.79 53.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.625 0.726 . . . . 0.0 110.936 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.442 ' CB ' ' SD ' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.802 0.334 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.406 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 68.7 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.882 0.372 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.0 ptt85 -135.02 -52.71 0.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -60.6 -57.05 14.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.52 -40.69 79.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -47.39 84.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.466 ' HG ' ' CD1' ' A' ' 42' ' ' ILE . 52.6 mt -73.28 -36.14 66.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.75 92.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.086 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.569 ' CD1' ' HE3' ' A' ' 119' ' ' LYS . 21.7 t90 -59.55 -42.22 91.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.3 t -79.0 -39.89 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -62.96 -23.06 67.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -103.49 -32.73 9.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 m -56.43 -68.15 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.546 HD13 ' CE2' ' A' ' 54' ' ' PHE . 3.4 mt -108.26 21.97 16.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 61.77 54.96 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 3.4 mm? -91.23 160.41 15.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -124.55 36.3 4.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -77.57 119.0 20.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.2 t -96.69 -4.1 41.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -140.88 128.17 21.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.564 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 15.5 mm -50.81 -31.23 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.402 ' O ' ' SG ' ' A' ' 46' ' ' CYS . 2.1 pp20? -63.25 -36.51 83.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -48.68 -48.65 39.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 46' ' ' CYS . 13.9 mt -41.09 -32.68 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.487 ' O ' ' C ' ' A' ' 47' ' ' SER . 31.3 p -35.37 -43.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.504 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 10.0 t -30.83 -52.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.19 -40.09 2.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.472 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.32 -39.97 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 0.0 111.073 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.37 -64.76 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -46.08 -39.66 9.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.8 m -61.93 -61.84 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -45.03 -33.01 1.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.546 ' CE2' HD13 ' A' ' 35' ' ' LEU . 8.9 m-85 -65.27 -42.25 93.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 48.0 mmm -54.22 -38.72 66.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -65.34 -46.18 81.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.417 ' HG3' ' CB ' ' A' ' 131' ' ' TYR . 2.0 ttm -60.14 -57.71 11.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.1 mt -63.49 -55.32 24.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.513 ' CG ' ' HE3' ' A' ' 92' ' ' MET . 0.7 OUTLIER -119.63 96.99 49.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.673 0.749 . . . . 0.0 110.883 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 140.47 42.77 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.713 2.276 . . . . 0.0 112.325 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.52 27.46 71.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.2 m -116.08 -36.14 4.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.815 0.34 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.6 p -115.96 150.7 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.498 ' CE1' ' HZ3' ' A' ' 67' ' ' LYS . 2.4 t-160 -105.05 96.75 6.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 68' ' ' VAL . 5.1 mp -65.23 -40.34 93.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -43.35 -43.3 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.498 ' HZ3' ' CE1' ' A' ' 64' ' ' HIS . 12.5 mttp -77.96 -22.86 48.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 65' ' ' LEU . 64.5 t -68.33 135.92 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.44 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 28.7 mttm -99.44 106.81 18.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -77.72 -37.85 48.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -92.71 42.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.17 119.58 12.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -116.85 -39.6 3.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.3 mt -82.71 162.19 21.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 52.1 tt0 -58.3 -62.42 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.437 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.1 p80 -44.01 -41.36 5.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.437 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 23.6 mt-10 -56.46 -36.27 68.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.467 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.9 m-85 -61.7 -40.64 95.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -73.66 -40.75 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.446 ' NE2' ' O ' ' A' ' 67' ' ' LYS . 43.6 t60 -43.26 -67.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 47' ' ' SER . 17.7 p30 -47.3 -39.38 14.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.463 ' CG ' HG23 ' A' ' 100' ' ' VAL . 6.8 m-85 -64.9 -38.67 91.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.5 mttp -50.64 -70.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.7 p -50.55 -38.2 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.9 tp -62.28 -43.48 98.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -51.17 -38.64 53.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.28 -47.04 86.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.26 -38.57 63.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -69.71 -45.81 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -85.26 2.88 42.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.54 -36.65 14.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.513 ' HE3' ' CG ' ' A' ' 59' ' ' PHE . 8.7 ptp -95.29 -41.13 9.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.77 39.25 0.4 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.478 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 97.7 t -76.78 126.41 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 111.193 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -88.4 38.78 0.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.1 tptt -132.28 115.15 15.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 82.7 mt -77.44 146.48 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.15 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 60.7 mt -103.37 97.29 9.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.598 0.713 . . . . 0.0 111.149 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 81.57 0.81 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.645 2.23 . . . . 0.0 112.318 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 102' ' ' LYS . 59.3 t -70.06 -62.79 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 100' ' ' VAL . 3.9 mt-10 -34.47 -32.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 100' ' ' VAL . 15.5 mttm -94.01 -52.94 4.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.441 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 15.2 mt -48.17 -50.46 28.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.4 m -48.35 -29.13 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 51.3 mmtt -63.72 -34.03 76.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.22 30.87 18.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.18 107.97 2.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.808 0.337 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.69 ' CE2' ' CZ ' ' A' ' 112' ' ' PHE . 2.7 t80 -45.59 -29.6 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.27 -74.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.944 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -47.74 -24.82 1.04 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -76.43 -46.26 27.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.69 ' CZ ' ' CE2' ' A' ' 108' ' ' PHE . 2.0 m-85 -49.62 -50.08 44.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.56 -54.6 45.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -46.96 -70.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 5.1 tp -55.43 -43.34 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.457 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 2.9 tp60 -46.14 -41.95 13.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -83.95 -27.44 28.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.54 -20.98 66.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.569 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 7.3 tptm -72.55 -64.87 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -57.97 -37.22 73.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -63.19 -32.37 73.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -67.52 -32.63 73.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -77.23 -36.94 54.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.82 -35.08 68.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.406 ' ND2' ' H ' ' A' ' 10' ' ' VAL . 1.6 m120 -95.63 -49.16 5.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -52.66 123.71 11.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -104.4 -49.19 3.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 157.9 53.22 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -125.01 117.66 24.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.352 . . . . 0.0 110.83 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -56.42 151.48 13.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.417 ' CB ' ' HG3' ' A' ' 57' ' ' MET . 88.5 t80 -135.58 146.75 48.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 5.5 m120 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.889 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.832 0.348 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 24' ' ' ARG . 3.0 m . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 23' ' ' SER . 13.7 mtm180 -34.17 -58.13 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -49.27 -70.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 29' ' ' ALA . 11.8 m-20 -45.86 -60.37 2.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.5 mmt -39.13 -42.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.2 mt -82.26 -28.58 31.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -67.02 -50.54 61.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.47 ' CD2' ' HG2' ' A' ' 119' ' ' LYS . 27.9 t90 -50.45 -40.61 51.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.458 HG22 ' CE3' ' A' ' 30' ' ' TRP . 21.4 t -78.1 -44.85 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -60.38 -13.67 14.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -113.7 -22.14 10.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 m -67.03 -68.41 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.48 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -107.25 21.96 16.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 62.93 54.68 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.48 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 3.9 mm? -90.9 163.67 14.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -130.34 35.68 4.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -71.21 126.96 31.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.433 ' H ' ' NE2' ' A' ' 44' ' ' GLN . 2.7 m -95.26 -4.92 44.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -155.59 143.62 19.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.556 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 12.3 mm -54.69 -39.51 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -52.7 -29.92 29.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.433 ' NE2' ' H ' ' A' ' 40' ' ' THR . 26.9 mt-30 -60.51 -33.83 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.8 mt -59.05 -28.65 66.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 47' ' ' SER . 1.7 p -40.78 -41.26 1.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 46' ' ' CYS . 88.1 p -34.43 -41.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 95.8 -41.83 2.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.52 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -35.19 -56.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.07 -64.07 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -43.58 -33.5 1.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.0 m -70.54 -53.56 15.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -56.5 -25.96 52.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.445 ' CE2' HD11 ' A' ' 35' ' ' LEU . 22.1 m-85 -69.46 -45.83 68.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 78.2 mmm -55.45 -33.09 63.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -66.95 -43.75 82.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.5 ttm -63.59 -61.69 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.99 -65.06 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.507 ' CD1' ' HE2' ' A' ' 92' ' ' MET . 4.3 m-85 -115.38 95.83 44.0 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.66 0.743 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 54.2 Cg_endo -69.77 148.17 64.43 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.359 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.05 4.63 78.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.462 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 32.9 m -99.09 -32.2 11.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.9 p -121.38 150.74 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -109.5 111.65 23.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.54 -25.29 53.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -57.87 -38.02 74.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.21 -11.89 57.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.8 t -79.08 126.48 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -94.6 93.48 7.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.905 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -68.36 -14.14 62.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -106.4 21.26 17.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.413 ' CB ' ' HB3' ' A' ' 77' ' ' GLU . . . -58.84 116.27 3.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -114.48 -29.93 6.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.7 mt -83.3 167.47 17.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -68.71 -53.87 19.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -55.95 -23.9 34.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.413 ' HB3' ' CB ' ' A' ' 72' ' ' ALA . 11.7 mt-10 -70.95 -22.05 62.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.0 m-30 -75.22 -39.2 60.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.4 mp -68.13 -43.22 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.154 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -50.53 -56.78 10.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -53.05 -32.14 45.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -75.03 -38.67 61.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -49.24 -57.79 6.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.9 p -60.84 -34.01 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.8 -47.02 82.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.448 ' NE2' ' HB ' ' A' ' 98' ' ' ILE . 10.5 mm-40 -51.83 -36.3 47.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.08 96.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.076 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.53 -22.9 62.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -78.15 -53.1 7.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -65.54 -36.27 83.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -43.87 -50.25 8.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.507 ' HE2' ' CD1' ' A' ' 59' ' ' PHE . 3.0 ptm -87.65 -46.85 9.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.19 39.82 0.33 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.506 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 79.6 t -69.2 122.33 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 111.123 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -87.46 31.82 0.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.7 tptm -121.99 105.34 10.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 42.3 mm -63.83 144.91 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.187 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.448 ' HB ' ' NE2' ' A' ' 86' ' ' GLN . 59.7 mt -104.0 98.73 14.27 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 111.074 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 82.22 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.388 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 102' ' ' LYS . 57.9 t -70.99 -63.37 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -41.56 -23.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 100' ' ' VAL . 14.2 mttt -98.43 -43.22 6.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.4 -48.67 80.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.9 m -55.24 -18.74 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -11.5 60.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 63.58 19.96 63.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.468 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -63.64 103.69 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.556 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 2.0 t80 -40.98 -29.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -78.15 -72.23 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -45.88 -21.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -81.1 -48.98 11.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.48 ' CE1' HG13 ' A' ' 42' ' ' ILE . 5.1 m-85 -46.95 -47.27 21.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -53.56 -48.39 69.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -63.49 -69.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 116' ' ' GLN . 9.0 tp -49.04 -30.37 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.449 ' N ' HG22 ' A' ' 115' ' ' ILE . 8.1 tp60 -63.32 -62.93 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.486 ' HA ' ' CD ' ' A' ' 120' ' ' LYS . 3.4 t90 -69.07 -16.07 63.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -69.75 -30.21 67.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.47 ' HG2' ' CD2' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -74.36 -51.2 15.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.486 ' CD ' ' HA ' ' A' ' 117' ' ' TRP . 3.8 ptmt -61.94 -35.83 79.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -73.99 -23.14 59.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -71.3 -40.01 71.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -81.99 -30.01 31.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.37 -13.6 14.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.403 ' N ' HD21 ' A' ' 125' ' ' ASN . 1.2 m-80 -125.63 -45.07 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.492 ' CE2' ' HA2' ' A' ' 128' ' ' GLY . 85.1 t80 -52.65 109.57 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -100.86 39.85 1.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.492 ' HA2' ' CE2' ' A' ' 126' ' ' TYR . . . 65.71 61.42 5.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.468 ' HG2' ' CE1' ' A' ' 126' ' ' TYR . 0.1 OUTLIER -114.42 106.15 13.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 110.894 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -47.34 142.43 4.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -154.26 130.74 10.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.628 0.728 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.47 ' N ' ' SD ' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.884 0.373 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -47.66 -45.79 28.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -58.5 -69.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 29' ' ' ALA . 11.4 m-20 -52.1 -61.44 2.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' ASP . 4.5 mmt -37.16 -43.36 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.42 ' O ' ' ND2' ' A' ' 32' ' ' ASN . 31.4 mt -78.95 -38.66 36.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -58.32 -42.81 87.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.561 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 4.5 t90 -57.99 -55.37 35.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.432 ' CG2' HD13 ' A' ' 115' ' ' ILE . 62.9 t -66.4 -34.85 72.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 28' ' ' LEU . 2.0 m-80 -62.72 -20.93 65.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -104.95 -31.45 9.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.4 m -54.87 -66.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.557 HD11 ' CD2' ' A' ' 54' ' ' PHE . 0.8 OUTLIER -111.49 18.47 19.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 64.1 52.28 2.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.0 mm? -83.36 166.42 18.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -135.02 38.9 2.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -80.45 124.58 29.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.1 p -90.86 -12.08 37.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -140.5 144.26 35.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.561 HG13 ' CE1' ' A' ' 112' ' ' PHE . 6.4 mm -61.21 -33.06 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -59.48 -33.0 70.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -53.19 -46.09 68.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.9 mt -43.8 -28.51 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 47' ' ' SER . 17.3 p -42.57 -37.66 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.45 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 2.5 p -34.37 -40.61 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 96.28 -46.99 1.8 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.26 -57.23 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.819 0.343 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.8 -64.57 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -43.01 -38.36 2.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.424 ' CB ' HG21 ' A' ' 68' ' ' VAL . 15.0 m -66.18 -56.81 9.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -48.23 -25.36 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.557 ' CD2' HD11 ' A' ' 35' ' ' LEU . 10.4 m-85 -72.3 -46.89 53.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 59.4 mmm -51.47 -39.7 58.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -60.09 -52.02 67.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.462 ' HG3' ' CB ' ' A' ' 131' ' ' TYR . 5.2 ttm -58.37 -56.04 27.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.58 -64.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.52 ' CD2' ' HE3' ' A' ' 92' ' ' MET . 4.0 m-85 -114.84 99.91 52.68 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.699 0.761 . . . . 0.0 110.866 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 143.21 49.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.31 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.08 18.89 78.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.452 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.8 m -108.45 -35.63 6.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.357 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.1 p -116.3 155.77 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -114.78 96.84 5.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.2 mp -65.12 -30.08 70.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.26 -43.26 67.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.432 ' O ' ' NE2' ' A' ' 80' ' ' HIS . 15.2 mttt -80.46 -19.89 45.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.437 HG11 ' CD1' ' A' ' 70' ' ' PHE . 54.6 t -68.94 131.34 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -98.02 102.4 14.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.437 ' CD1' HG11 ' A' ' 68' ' ' VAL . 3.6 m-85 -75.39 -37.18 60.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -87.58 36.24 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.01 130.6 43.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.063 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -129.2 -35.77 1.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 49.9 mt -78.13 171.06 15.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.553 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 14.5 tt0 -71.85 -60.6 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -48.58 -33.42 9.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -64.84 -33.23 75.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.553 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 23.2 m-85 -62.25 -28.13 69.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.403 HG21 ' CE ' ' A' ' 83' ' ' LYS . 3.9 mp -81.09 -38.83 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.152 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.432 ' NE2' ' O ' ' A' ' 67' ' ' LYS . 38.6 t60 -46.22 -65.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 47' ' ' SER . 7.9 p30 -50.84 -28.75 10.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.476 ' CG ' HG21 ' A' ' 100' ' ' VAL . 2.8 m-85 -78.34 -33.82 48.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.403 ' CE ' HG21 ' A' ' 79' ' ' ILE . 51.2 mttt -57.29 -66.47 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.4 p -55.16 -32.0 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.7 tp -64.49 -49.25 72.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -48.11 -41.38 26.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.99 -41.9 71.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.57 -34.93 71.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -64.97 -55.46 18.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' MET . 0.4 OUTLIER -64.56 -41.09 96.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 90' ' ' LYS . 28.5 mttp -34.11 -35.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.52 ' HE3' ' CD2' ' A' ' 59' ' ' PHE . 8.7 ptp -111.31 -38.88 4.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 121.46 35.56 0.79 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.445 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.419 HG21 ' CB ' ' A' ' 9' ' ' ALA . 40.6 t -54.05 122.58 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 111.11 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -83.48 36.65 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.556 ' HG2' ' CH2' ' A' ' 117' ' ' TRP . 14.8 tptt -135.2 117.39 15.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.418 HG21 ' N ' ' A' ' 98' ' ' ILE . 37.7 mm -77.41 143.76 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.418 ' N ' HG21 ' A' ' 97' ' ' ILE . 38.4 mt -103.26 97.29 9.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 111.187 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 79.31 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.476 HG21 ' CG ' ' A' ' 82' ' ' PHE . 66.1 t -66.63 -63.27 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 100' ' ' VAL . 5.2 mm-40 -36.06 -37.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -87.57 -43.07 12.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.401 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 13.7 mt -59.3 -56.12 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.47 ' O ' ' C ' ' A' ' 105' ' ' LYS . 13.2 m -42.86 -48.05 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 104' ' ' VAL . 6.8 mmpt? -32.83 -40.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.86 29.62 12.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -72.76 172.08 11.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.482 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 1.4 t80 -100.69 -30.45 11.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -73.45 -71.06 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -49.45 -24.1 1.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -77.1 -45.39 27.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.561 ' CE1' HG13 ' A' ' 42' ' ' ILE . 3.4 m-85 -51.03 -60.8 2.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -44.35 -63.77 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -39.28 -70.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.458 HG23 ' N ' ' A' ' 116' ' ' GLN . 8.8 tp -52.68 -33.94 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.183 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.458 ' N ' HG23 ' A' ' 115' ' ' ILE . 0.0 OUTLIER -56.98 -60.9 2.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.556 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 3.6 t90 -68.18 -28.77 67.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -59.17 -26.46 64.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.561 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 22.6 tptp -65.3 -66.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -55.5 -48.22 74.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -56.42 -33.39 65.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.558 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 0.5 OUTLIER -72.22 -41.62 66.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -72.6 -34.9 67.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -54.48 -35.78 63.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.84 -48.16 4.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.507 ' CZ ' ' HA2' ' A' ' 128' ' ' GLY . 18.6 t80 -41.89 133.61 2.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -131.41 41.83 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.507 ' HA2' ' CZ ' ' A' ' 126' ' ' TYR . . . 45.07 67.8 1.1 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.495 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 130' ' ' ASP . 2.5 mtmp? -98.61 19.8 14.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 129' ' ' LYS . 2.0 t70 34.2 41.27 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.462 ' CB ' ' HG3' ' A' ' 57' ' ' MET . 78.1 t80 -51.38 151.94 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.6 m120 . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.639 0.733 . . . . 0.0 110.916 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.419 ' N ' ' SD ' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.832 0.349 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.0 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 24' ' ' ARG . 8.1 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.872 0.367 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 23' ' ' SER . 16.1 ttt180 -33.97 -49.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -50.35 -70.42 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -52.87 -52.61 56.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.2 mmt -46.72 -42.33 16.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.3 mt -81.01 -31.01 34.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.93 -33.42 74.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.533 ' CD1' ' HE3' ' A' ' 119' ' ' LYS . 14.4 t90 -64.18 -42.02 96.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.3 t -81.69 -41.84 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.17 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -60.86 -17.49 50.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.97 -43.81 4.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 m -53.5 -67.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.496 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 11.2 mt -98.74 15.07 26.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 58.01 54.03 6.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.496 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.3 mm? -87.29 170.83 11.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -132.91 37.79 3.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -78.53 122.65 26.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.2 t -93.23 -9.18 40.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -147.04 137.55 23.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.51 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 3.3 mm -54.17 -46.01 67.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.135 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -44.66 -32.31 1.44 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' CYS . 25.5 mt-30 -57.99 -46.35 85.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.1 mt -40.04 -27.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 47' ' ' SER . 31.7 p -43.1 -39.06 2.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 46' ' ' CYS . 3.2 t -33.85 -44.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 100.41 -50.17 1.08 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -33.75 -56.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.71 -60.69 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -50.3 -37.96 39.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 11.2 m -67.64 -51.41 50.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -54.22 -25.65 24.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.475 ' CG ' HD13 ' A' ' 35' ' ' LEU . 8.8 m-85 -73.29 -45.16 57.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 46.3 mmm -47.66 -42.85 25.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -65.73 -39.11 90.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.838 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.481 ' SD ' ' CB ' ' A' ' 131' ' ' TYR . 6.8 tpp -56.37 -58.73 6.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 74.5 mt -73.72 -62.44 1.49 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.541 ' CD2' ' HE3' ' A' ' 92' ' ' MET . 2.0 m-85 -103.07 96.01 7.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.656 0.741 . . . . 0.0 110.919 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 142.87 49.06 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.245 . . . . 0.0 112.324 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.28 19.64 72.52 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 23.6 m -104.07 -35.99 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.2 p -116.37 152.88 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.52 ' CD2' ' HB2' ' A' ' 66' ' ' ARG . 2.9 t-160 -106.77 99.46 9.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 mp -66.04 -36.87 84.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.52 ' HB2' ' CD2' ' A' ' 64' ' ' HIS . 11.4 mmm180 -47.72 -42.79 26.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.856 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -76.89 -23.04 52.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.454 ' CG1' ' HA ' ' A' ' 49' ' ' ALA . 71.8 t -70.56 130.85 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.419 ' HE2' ' CD2' ' A' ' 80' ' ' HIS . 32.2 mttm -99.57 105.27 17.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -74.2 -43.78 55.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -82.8 40.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.96 121.31 20.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -117.35 -37.79 3.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.5 mt -79.74 166.48 21.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.949 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.44 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 41.7 tt0 -65.53 -62.75 1.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.4 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.2 p80 -43.73 -39.25 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.4 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 26.4 mt-10 -56.32 -38.23 71.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.44 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.7 m-85 -64.14 -40.5 96.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.7 mp -65.07 -49.1 81.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.419 ' CD2' ' HE2' ' A' ' 69' ' ' LYS . 55.9 t60 -48.48 -60.17 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -46.97 -33.77 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 103' ' ' LEU . 13.3 m-85 -75.49 -42.04 53.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.7 mttp -44.53 -62.07 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.6 p -55.51 -39.11 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.1 tp -60.25 -47.8 84.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -51.24 -36.27 41.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.26 89.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.85 -34.23 76.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.432 ' CG ' HD13 ' A' ' 98' ' ' ILE . 3.5 m-85 -62.92 -44.61 95.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 91' ' ' LYS . 50.7 mmtt -74.04 -38.86 63.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 90' ' ' LYS . 12.1 mtpp -34.7 -40.44 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.541 ' HE3' ' CD2' ' A' ' 59' ' ' PHE . 16.6 ptp -102.18 -43.81 5.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.96 29.26 0.88 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 83.6 t -54.4 120.58 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -86.99 36.7 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.497 ' HG2' ' CH2' ' A' ' 117' ' ' TRP . 16.3 tptt -124.93 98.27 5.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.448 HG21 ' N ' ' A' ' 98' ' ' ILE . 34.3 mm -59.57 138.72 20.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.448 ' N ' HG21 ' A' ' 97' ' ' ILE . 60.0 mt -100.19 99.85 10.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.646 0.736 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 82.64 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.473 HG22 ' CG ' ' A' ' 82' ' ' PHE . 66.7 t -72.57 -53.53 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -46.09 -24.63 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -99.62 -53.72 3.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.535 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 23.2 mt -49.42 -54.91 15.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.452 ' CG1' HG11 ' A' ' 100' ' ' VAL . 33.1 m -45.36 -41.45 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -51.36 -35.38 38.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.03 36.1 6.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -73.91 107.46 6.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.646 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 5.1 t80 -47.36 -30.73 3.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -75.95 -71.19 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -48.84 -19.64 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -80.9 -50.29 9.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.646 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 1.9 m-85 -45.77 -47.86 15.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -56.2 -58.92 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -46.54 -70.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 116' ' ' GLN . 8.8 tp -51.71 -44.55 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.128 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.474 ' N ' HG22 ' A' ' 115' ' ' ILE . 18.3 tp60 -49.58 -49.04 48.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.497 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 8.1 t90 -73.59 -42.25 61.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -52.91 -18.45 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.533 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 10.2 tptm -66.95 -58.03 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -71.93 -32.14 67.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -65.23 -24.08 67.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 0.5 OUTLIER -79.85 -44.77 19.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -70.0 -36.61 75.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -49.5 -37.36 26.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 126' ' ' TYR . 3.1 m-80 -101.02 -41.89 6.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.469 ' CZ ' ' HA2' ' A' ' 128' ' ' GLY . 69.9 t80 -35.19 128.87 0.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -123.28 36.33 4.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.469 ' HA2' ' CZ ' ' A' ' 126' ' ' TYR . . . 53.65 86.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.19 166.74 23.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.07 132.22 45.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.481 ' CB ' ' SD ' ' A' ' 57' ' ' MET . 62.5 t80 -139.56 147.33 41.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 121.623 0.725 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.798 0.332 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 24' ' ' ARG . 4.8 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.907 0.384 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 23' ' ' SER . 8.7 ptt-85 -34.63 -50.34 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -57.98 -72.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -41.8 -52.93 3.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -45.41 -46.56 13.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.448 HD11 ' N ' ' A' ' 41' ' ' LYS . 85.9 mt -76.77 -33.15 58.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.19 -37.67 86.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.515 ' CD2' ' HG2' ' A' ' 119' ' ' LYS . 24.2 t90 -62.34 -49.88 73.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.409 HG22 ' CE3' ' A' ' 30' ' ' TRP . 60.1 t -71.66 -37.33 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.187 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 28' ' ' LEU . 1.6 m-80 -58.25 -21.33 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -104.92 -36.01 7.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.7 m -49.18 -67.19 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.466 HD12 ' CD2' ' A' ' 54' ' ' PHE . 1.7 mt -110.49 19.14 19.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 62.66 50.83 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.4 mm? -79.99 168.35 19.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -132.99 32.48 3.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -72.04 138.7 48.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.426 ' C ' ' HG3' ' A' ' 41' ' ' LYS . 2.4 m -111.88 2.53 17.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.448 ' N ' HD11 ' A' ' 28' ' ' LEU . 2.4 mtpp -153.88 147.92 25.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.483 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 2.8 mm -69.15 -27.87 36.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.51 ' OE1' ' CE1' ' A' ' 108' ' ' PHE . 1.6 pm0 -65.87 -32.46 73.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.834 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 46' ' ' CYS . 24.6 mt-30 -57.11 -48.2 79.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.4 mt -40.88 -25.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' GLN . 23.5 p -42.45 -36.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 46' ' ' CYS . 24.1 p -34.92 -45.25 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 97.25 -45.63 1.76 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.434 ' HA ' ' CG1' ' A' ' 68' ' ' VAL . . . -37.18 -62.43 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.787 0.327 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.79 -58.68 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -46.49 -36.57 6.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.465 ' CB ' HG23 ' A' ' 68' ' ' VAL . 35.5 m -68.94 -49.12 60.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.425 ' NE2' HD22 ' A' ' 65' ' ' LEU . 56.3 tp60 -53.81 -23.14 11.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.466 ' CD2' HD12 ' A' ' 35' ' ' LEU . 12.6 m-85 -75.28 -47.57 27.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.51 ' HE1' ' CD1' ' A' ' 89' ' ' PHE . 40.8 mmm -51.85 -34.31 40.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -67.83 -42.54 81.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.0 ttm -59.62 -63.24 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.0 mt -59.75 -66.5 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -104.88 100.53 24.42 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.655 0.74 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 142.21 47.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.331 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.77 28.92 74.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 87.3 m -112.04 -38.74 4.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.9 p -113.35 147.33 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 66' ' ' ARG . 3.1 t-160 -102.96 96.99 7.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.425 HD22 ' NE2' ' A' ' 53' ' ' GLN . 2.1 mp -66.44 -35.39 80.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.56 ' HB2' ' CD2' ' A' ' 64' ' ' HIS . 11.2 mpt_? -48.6 -43.12 35.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -76.77 -21.0 55.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.465 HG23 ' CB ' ' A' ' 52' ' ' CYS . 78.2 t -73.75 132.75 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -101.42 107.4 18.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -76.77 -41.31 45.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -84.15 38.01 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.46 132.67 43.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -127.51 -33.43 2.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 79.8 mt -80.61 160.28 25.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.558 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 17.8 tt0 -61.7 -62.92 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.44 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.8 p80 -41.73 -42.17 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.44 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 23.3 mt-10 -55.75 -39.37 71.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.558 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 18.8 m-85 -56.93 -39.28 74.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.956 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.1 mp -71.83 -50.41 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -42.96 -60.6 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -49.27 -36.8 21.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.41 ' HB3' ' CG2' ' A' ' 100' ' ' VAL . 7.2 m-85 -73.62 -34.99 65.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -51.66 -63.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.3 p -54.69 -35.31 32.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.85 -51.6 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -46.57 -30.54 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.72 -46.85 83.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.24 -17.11 62.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.51 ' CD1' ' HE1' ' A' ' 55' ' ' MET . 4.6 m-85 -85.5 -44.69 12.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -77.59 -31.51 53.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 92' ' ' MET . 1.1 ptmt -42.61 -40.5 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.447 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 5.0 ptp -101.18 -41.58 6.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.58 27.23 1.08 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.7 t -54.78 119.63 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.164 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.05 30.15 0.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.564 ' HG3' ' CH2' ' A' ' 117' ' ' TRP . 2.9 tmtm? -113.4 91.68 3.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 93.4 mt -57.87 134.7 22.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 67.7 mt -98.49 101.75 12.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.639 0.733 . . . . 0.0 111.139 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 81.34 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.322 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 102' ' ' LYS . 58.4 t -72.99 -60.98 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 100' ' ' VAL . 1.9 mt-10 -36.84 -29.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 100' ' ' VAL . 17.3 mttm -97.85 -56.08 2.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.7 mt -43.56 -51.27 6.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 106' ' ' GLY . 33.1 m -51.62 -46.34 37.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 104' ' ' VAL . 1.1 mmmp? -36.29 -32.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 104' ' ' VAL . . . 82.11 36.69 17.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.437 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.4 mmtm -78.07 179.16 6.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.353 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.603 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 4.3 t80 -110.63 -17.67 13.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.501 ' C ' ' CD ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -86.69 -72.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.31 -23.51 1.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -78.28 -34.03 49.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.603 ' CD2' ' O ' ' A' ' 108' ' ' PHE . 2.0 m-85 -62.8 -56.56 16.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -51.49 -37.24 48.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -66.71 -69.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 9.9 tp -56.77 -23.62 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -64.59 -52.01 59.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.564 ' CH2' ' HG3' ' A' ' 96' ' ' LYS . 8.5 t90 -76.15 -42.45 46.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -41.35 -49.16 3.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.515 ' HG2' ' CD2' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -46.93 -47.94 21.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -66.23 -53.49 36.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.599 ' CE2' ' OD1' ' A' ' 125' ' ' ASN . 68.0 t80 -47.12 -30.99 3.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.38 -42.24 79.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.84 -27.86 58.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.37 -38.9 85.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.599 ' OD1' ' CE2' ' A' ' 121' ' ' PHE . 1.6 m120 -90.53 -53.23 4.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.513 ' CE2' ' HA2' ' A' ' 128' ' ' GLY . 62.6 t80 -42.44 122.3 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -117.03 33.61 5.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.513 ' HA2' ' CE2' ' A' ' 126' ' ' TYR . . . 69.8 74.8 0.62 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.451 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -138.43 129.4 26.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -68.87 122.71 19.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -129.92 139.15 51.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 7.3 m120 . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.62 0.724 . . . . 0.0 110.933 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.816 0.341 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.9 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.168 179.937 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 24' ' ' ARG . 2.2 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.85 0.357 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 23' ' ' SER . 9.7 mtm-85 -33.92 -68.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.816 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 24' ' ' ARG . 46.4 t60 -36.28 -69.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 29' ' ' ALA . 1.1 m-20 -50.91 -64.4 0.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' ASP . 3.7 mmt -34.65 -47.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 mt -75.63 -37.36 59.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -60.1 -40.53 89.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.098 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.555 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 30.0 t90 -56.52 -46.09 80.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.8 t -75.16 -45.84 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.145 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -60.51 -11.12 6.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -115.45 -29.94 6.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.1 m -60.96 -52.84 63.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.489 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -123.8 18.22 9.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 62.97 53.88 2.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.489 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.5 mm? -86.09 158.76 19.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -118.71 39.63 3.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.425 ' CE2' HD13 ' A' ' 37' ' ' LEU . 29.8 m-85 -85.97 118.16 25.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.9 m -93.11 -8.38 42.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -142.23 128.85 20.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.538 HG13 ' CE1' ' A' ' 112' ' ' PHE . 4.6 mm -46.14 -45.44 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -49.6 -35.26 20.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.41 ' C ' ' N ' ' A' ' 46' ' ' CYS . 13.1 mm-40 -51.17 -48.4 61.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.0 mt -43.56 -23.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 47' ' ' SER . 30.3 p -42.87 -38.94 2.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.502 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 42.5 m -34.39 -48.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.09 -38.77 3.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.44 -60.0 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.32 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.87 -60.12 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -51.43 -39.32 57.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.443 ' CB ' HG21 ' A' ' 68' ' ' VAL . 32.9 m -66.21 -46.96 75.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -58.09 -22.49 50.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -78.09 -45.86 22.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 54.7 mmm -50.06 -37.19 32.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -69.89 -37.6 76.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.477 ' HA ' ' CD2' ' A' ' 131' ' ' TYR . 2.2 ttm -66.47 -57.09 8.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.409 HD21 ' CD1' ' A' ' 122' ' ' PHE . 16.3 mt -61.23 -60.72 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -113.76 110.83 49.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.617 0.722 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 138.09 36.97 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.65 2.233 . . . . 0.0 112.335 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.31 22.49 72.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.91 -37.09 9.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 p -119.47 161.6 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -114.3 104.43 12.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.1 mp -71.33 -32.73 68.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -55.62 -33.86 64.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -93.53 10.53 32.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.443 HG21 ' CB ' ' A' ' 52' ' ' CYS . 46.8 t -104.65 140.62 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.492 ' HZ2' ' CD2' ' A' ' 80' ' ' HIS . 2.0 mtpp -97.69 103.52 15.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -74.58 -26.89 60.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -120.13 57.27 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.41 130.47 39.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -118.06 -35.22 3.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.5 mt -86.6 158.85 19.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.565 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 3.0 tp10 -60.47 -59.56 5.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -46.41 -36.21 6.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -61.84 -34.09 75.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.565 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 23.3 m-85 -62.13 -35.65 79.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.957 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.477 HG13 ' CG1' ' A' ' 100' ' ' VAL . 4.6 mp -79.19 -38.6 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.143 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.492 ' CD2' ' HZ2' ' A' ' 69' ' ' LYS . 83.3 t60 -44.56 -63.18 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 47' ' ' SER . 13.1 p30 -51.77 -33.83 36.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.513 ' CZ ' HD12 ' A' ' 103' ' ' LEU . 9.4 m-85 -72.41 -36.75 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -52.77 -60.42 3.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.0 p -61.14 -30.73 48.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.53 -47.07 77.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -49.86 -33.21 16.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.48 -43.75 89.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.8 -11.62 19.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -91.36 -50.78 5.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -69.48 -35.12 75.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 92' ' ' MET . 0.0 OUTLIER -42.98 -43.78 4.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.851 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.424 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 9.0 ptp -97.07 -35.93 10.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 120.42 21.58 3.32 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 77.9 t -46.68 118.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 111.157 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -83.09 35.74 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.55 ' HG2' ' CH2' ' A' ' 117' ' ' TRP . 30.7 tptt -128.72 109.11 11.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 98' ' ' ILE . 4.5 mp -74.08 139.88 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.419 ' N ' HG22 ' A' ' 97' ' ' ILE . 42.6 mt -98.7 102.7 15.64 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.575 0.703 . . . . 0.0 111.15 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 82.66 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.49 HG21 ' CG ' ' A' ' 82' ' ' PHE . 95.6 t -72.85 -46.05 54.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -58.41 -24.83 61.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -99.34 -35.18 10.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.513 HD12 ' CZ ' ' A' ' 82' ' ' PHE . 20.2 mt -68.51 -49.1 62.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.8 m -52.87 -24.24 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -65.68 -28.28 68.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.17 35.86 25.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -78.75 104.16 9.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.596 ' CE2' ' CZ ' ' A' ' 112' ' ' PHE . 3.2 t80 -40.83 -31.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -75.28 -70.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -48.7 -19.91 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -82.03 -46.69 13.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.596 ' CZ ' ' CE2' ' A' ' 108' ' ' PHE . 2.6 m-85 -48.97 -47.75 43.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -56.19 -49.52 73.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -56.6 -70.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 116' ' ' GLN . 7.9 tp -51.3 -40.69 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.473 ' N ' HG23 ' A' ' 115' ' ' ILE . 7.6 tp-100 -51.27 -59.15 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.55 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 8.7 t90 -68.97 -34.09 74.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -55.17 -23.57 22.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.555 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 6.1 tmtm? -76.0 -60.49 2.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.12 -33.16 68.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -69.56 -22.69 63.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.432 ' O ' ' CB ' ' A' ' 126' ' ' TYR . 1.3 t80 -76.58 -41.86 44.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -74.6 -28.84 61.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.9 -33.37 75.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -101.93 -49.31 3.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.432 ' CB ' ' O ' ' A' ' 122' ' ' PHE . 77.9 t80 -43.07 110.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.93 -58.54 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 154.4 41.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.446 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -102.85 159.17 15.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -85.05 135.65 33.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.477 ' CD2' ' HA ' ' A' ' 57' ' ' MET . 48.3 t80 -139.6 121.51 15.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.729 . . . . 0.0 110.875 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.426 ' N ' ' HE1' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.817 0.342 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.555 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 74.8 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 24' ' ' ARG . 62.9 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.88 0.371 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 23' ' ' SER . 18.0 ptt-85 -35.77 -37.05 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -61.07 -63.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -61.0 -48.67 80.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.2 mmt -49.78 -43.48 48.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.7 mt -79.18 -36.94 39.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.2 -38.52 86.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.531 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 16.2 t90 -58.18 -43.48 87.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.5 t -79.34 -38.92 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -66.13 -7.72 19.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -115.32 -36.05 4.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.8 m -57.75 -65.58 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.492 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 4.2 mt -105.8 13.52 29.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 63.5 55.02 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.492 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.3 mm? -82.94 166.25 19.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -127.72 31.5 5.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -75.73 127.11 32.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.3 t -95.65 -7.41 37.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.106 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -149.88 134.87 17.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.56 HG13 ' CE1' ' A' ' 112' ' ' PHE . 3.4 mm -46.31 -46.92 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -42.62 -41.38 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 46' ' ' CYS . 17.2 mm-40 -47.74 -49.38 28.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.42 ' CD1' HD12 ' A' ' 115' ' ' ILE . 30.5 mt -40.01 -27.96 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 47' ' ' SER . 32.0 p -42.41 -39.24 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.494 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 43.2 p -34.34 -49.03 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 106.34 -45.99 1.23 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.35 -52.76 1.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.803 0.335 . . . . 0.0 111.086 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.77 -62.11 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -47.5 -41.15 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.8 m -64.01 -55.73 20.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -49.86 -25.83 3.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -73.86 -45.74 49.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.531 ' HE2' ' CD1' ' A' ' 89' ' ' PHE . 33.0 mmm -53.19 -34.03 55.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -63.93 -50.32 69.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.1 ttp -64.65 -52.51 56.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 75.0 mt -59.66 -60.22 4.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.543 ' CE2' ' HE3' ' A' ' 92' ' ' MET . 6.8 m-85 -120.71 106.62 39.38 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.635 0.731 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.6 Cg_endo -69.74 142.47 48.11 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.742 2.295 . . . . 0.0 112.332 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.45 26.88 70.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.3 t -113.45 -32.81 6.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.8 p -123.65 145.73 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.162 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.615 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 2.2 t60 -100.89 126.07 47.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mp -92.47 -32.38 14.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.581 ' HB2' ' CD2' ' A' ' 64' ' ' HIS . 9.2 mtt180 -58.87 -22.79 59.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.615 ' HG3' ' CD2' ' A' ' 64' ' ' HIS . 6.6 mttp -104.08 12.46 33.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.5 t -102.23 133.98 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.426 ' HG2' ' CD2' ' A' ' 80' ' ' HIS . 38.0 mmtt -92.16 102.83 15.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -81.24 -38.44 26.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -91.78 27.31 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.1 119.07 4.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -115.85 -37.88 3.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.4 mt -84.36 175.81 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.496 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 21.9 tt0 -70.25 -56.33 7.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -53.67 -28.09 31.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.83 -26.69 62.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.496 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 23.1 m-85 -71.03 -25.43 62.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 82' ' ' PHE . 5.0 mp -88.14 -44.26 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.426 ' CD2' ' HG2' ' A' ' 69' ' ' LYS . 57.8 t60 -37.14 -52.53 1.01 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 47' ' ' SER . 9.3 p30 -60.6 -36.11 77.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 79' ' ' ILE . 15.9 m-85 -69.82 -54.13 15.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 82' ' ' PHE . 60.4 mttt -34.15 -61.0 0.38 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.8 p -61.85 -37.53 78.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 82' ' ' PHE . 51.5 tp -60.58 -39.33 87.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -57.91 -34.33 69.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.63 -38.63 87.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.61 -32.86 73.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.531 ' CD1' ' HE2' ' A' ' 55' ' ' MET . 2.9 m-85 -70.27 -48.56 56.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -68.77 -42.91 76.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -38.43 -55.93 1.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.543 ' HE3' ' CE2' ' A' ' 59' ' ' PHE . 4.9 ptm -77.41 -47.92 18.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 125.4 44.77 0.26 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.7 t -77.37 128.17 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.366 . . . . 0.0 111.121 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -87.72 37.63 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -126.86 122.78 35.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 98' ' ' ILE . 93.8 mt -82.45 144.17 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.42 ' N ' HG22 ' A' ' 97' ' ' ILE . 64.2 mt -103.01 97.63 9.98 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.649 0.738 . . . . 0.0 111.131 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 80.55 0.85 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.701 2.268 . . . . 0.0 112.32 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 102' ' ' LYS . 58.7 t -69.94 -61.87 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 100' ' ' VAL . 0.9 OUTLIER -36.67 -30.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 100' ' ' VAL . 0.0 OUTLIER -94.83 -52.89 4.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.486 HD13 ' CZ ' ' A' ' 82' ' ' PHE . 16.8 mt -48.97 -47.62 43.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.46 HG21 ' N ' ' A' ' 105' ' ' LYS . 34.0 m -51.72 -28.01 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.46 ' N ' HG21 ' A' ' 104' ' ' VAL . 6.2 mmmm -58.55 -38.14 77.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.63 32.48 18.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 109' ' ' GLN . 29.4 mtmt -75.53 105.28 6.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.794 0.33 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.536 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 1.8 t80 -36.47 -29.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 107' ' ' LYS . 4.8 tp60 -78.53 -70.58 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -44.86 -21.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.403 ' N ' ' C ' ' A' ' 109' ' ' GLN . 4.9 m-80 -84.03 -45.16 13.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.56 ' CE1' HG13 ' A' ' 42' ' ' ILE . 3.1 m-85 -50.19 -45.85 53.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -58.25 -51.38 69.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -57.37 -68.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.42 HD12 ' CD1' ' A' ' 45' ' ' LEU . 6.3 tp -49.03 -40.23 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.169 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.47 ' CG ' ' O ' ' A' ' 112' ' ' PHE . 1.7 mm-40 -53.38 -60.28 3.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.43 ' CE2' ' HB2' ' A' ' 121' ' ' PHE . 20.7 t90 -65.74 -32.27 73.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -56.81 -28.69 61.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.531 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 20.8 tptt -62.32 -68.97 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.416 ' CE ' ' HA ' ' A' ' 117' ' ' TRP . 21.8 pttt -58.01 -42.23 84.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.43 ' HB2' ' CE2' ' A' ' 117' ' ' TRP . 35.5 t80 -54.7 -30.05 54.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.735 ' CZ ' ' CD2' ' A' ' 126' ' ' TYR . 0.6 OUTLIER -79.19 -28.54 42.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -77.53 -36.09 52.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.25 -23.68 65.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.555 ' ND2' ' H ' ' A' ' 10' ' ' VAL . 1.4 m120 -105.51 -47.53 3.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.735 ' CD2' ' CZ ' ' A' ' 122' ' ' PHE . 31.9 t80 -51.23 135.63 25.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.92 -54.17 2.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 163.42 65.79 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.451 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.07 135.97 46.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -84.02 133.43 34.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.805 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -122.5 140.14 53.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.9 m120 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.721 . . . . 0.0 110.841 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.489 ' CB ' ' SD ' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.83 0.348 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.4 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 25' ' ' HIS . 68.2 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.885 0.374 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -37.17 -28.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 23' ' ' SER . 13.4 t-160 -68.8 -64.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.98 -56.85 15.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.447 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -42.72 -41.16 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.0 mt -79.61 -38.59 33.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.47 -37.06 79.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.047 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.522 ' CD2' ' HD2' ' A' ' 119' ' ' LYS . 17.7 t90 -62.22 -42.92 99.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.422 HG11 ' CB ' ' A' ' 37' ' ' LEU . 80.9 t -76.39 -42.04 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 2.0 m-80 -59.31 -14.08 10.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -106.84 -27.64 10.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.1 m -66.02 -60.19 3.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.664 ' C ' ' CD2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -123.55 42.07 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.664 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 6.3 p80 41.17 54.97 3.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.529 ' HG ' ' CE2' ' A' ' 39' ' ' TYR . 1.0 OUTLIER -84.54 148.81 26.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -112.5 39.56 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.529 ' CE2' ' HG ' ' A' ' 37' ' ' LEU . 20.9 m-85 -78.14 114.02 16.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 44.8 p -95.21 -4.64 45.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -149.58 131.19 14.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.567 HG13 ' CE1' ' A' ' 112' ' ' PHE . 11.7 mm -47.52 -35.97 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -57.46 -36.27 71.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 46' ' ' CYS . 22.1 mt-30 -53.84 -46.78 71.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.406 HD23 ' CE2' ' A' ' 39' ' ' TYR . 12.2 mt -40.67 -25.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' GLN . 30.4 p -44.95 -36.82 3.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.453 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 38.9 m -34.42 -46.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 97.7 -42.83 2.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.528 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -36.24 -62.97 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.084 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.7 -60.88 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -45.66 -40.11 8.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 11.1 m -64.66 -59.17 4.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -52.58 -23.5 6.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -71.7 -49.16 42.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 42.1 mmm -43.19 -42.56 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -64.69 -44.08 91.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.563 ' HA ' ' CE2' ' A' ' 131' ' ' TYR . 8.6 tpp -51.43 -47.96 62.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.7 mt -82.67 -61.84 1.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.563 ' CD2' ' HE1' ' A' ' 92' ' ' MET . 1.8 m-85 -109.64 96.53 23.85 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.633 0.73 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.83 48.9 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.307 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.99 16.71 80.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.4 m -107.07 -34.99 6.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.4 p -116.55 145.92 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -100.14 98.96 9.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.422 HD11 ' N ' ' A' ' 65' ' ' LEU . 2.1 mp -64.45 -39.69 94.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 5.5 mmm180 -47.12 -42.97 20.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -76.01 -26.56 56.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.3 131.24 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.187 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.474 ' CD ' ' OE1' ' A' ' 77' ' ' GLU . 65.1 mttt -98.87 96.26 7.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -67.25 -37.96 84.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -86.99 43.86 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.63 130.47 35.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -131.85 -36.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.5 mt -78.66 166.82 22.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.486 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 14.0 tt0 -63.0 -62.49 1.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.544 ' CE1' ' HG2' ' A' ' 77' ' ' GLU . 10.1 p80 -45.74 -44.71 13.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.544 ' HG2' ' CE1' ' A' ' 76' ' ' HIS . 13.9 mm-40 -50.7 -36.42 35.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.486 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.5 m-85 -61.81 -41.72 98.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.1 mp -69.92 -55.0 16.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.453 ' CG ' ' HE3' ' A' ' 69' ' ' LYS . 13.5 t60 -37.53 -52.58 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.82 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.77 -44.23 97.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.564 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 10.3 m-85 -62.85 -33.35 75.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -54.38 -71.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.417 HG11 ' N ' ' A' ' 85' ' ' LEU . 6.6 p -46.63 -39.02 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.417 ' N ' HG11 ' A' ' 84' ' ' VAL . 23.4 tp -60.73 -40.27 91.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -51.69 -46.47 63.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.951 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.47 -40.04 64.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.46 -34.85 77.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.423 ' CG ' HD12 ' A' ' 98' ' ' ILE . 2.8 m-85 -68.36 -46.83 69.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 91' ' ' LYS . 37.0 mmtm -69.7 -42.04 74.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 90' ' ' LYS . 12.0 mtpp -34.65 -40.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.563 ' HE1' ' CD2' ' A' ' 59' ' ' PHE . 19.2 ptp -100.55 -43.21 6.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.64 21.51 1.77 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.45 HG22 ' CG ' ' A' ' 92' ' ' MET . 86.2 t -44.77 116.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 111.129 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.2 10.26 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.549 ' HG2' ' CZ3' ' A' ' 117' ' ' TRP . 13.1 tptm -104.39 98.13 7.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 47.1 mm -61.81 147.33 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.423 HD12 ' CG ' ' A' ' 89' ' ' PHE . 24.1 mt -103.34 100.16 17.27 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.562 0.696 . . . . 0.0 111.175 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 79.24 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.371 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.508 HG23 ' CG ' ' A' ' 82' ' ' PHE . 95.7 t -67.93 -58.83 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -39.45 -38.13 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -87.92 -44.83 10.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.564 HD13 ' CZ ' ' A' ' 82' ' ' PHE . 13.6 mt -54.92 -54.86 37.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.1 m -45.0 -45.56 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -45.13 -33.93 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.71 39.95 10.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.514 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 109' ' ' GLN . 11.4 mmmt -77.47 106.02 8.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.588 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 1.8 t80 -40.16 -26.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.498 ' C ' ' CD ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -80.53 -72.22 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -48.34 -23.39 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -80.86 -41.28 23.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.588 ' CD2' ' O ' ' A' ' 108' ' ' PHE . 2.3 m-85 -51.23 -56.73 11.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 114' ' ' PHE . 9.1 mt-10 -49.57 -65.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' GLU . 5.8 t80 -34.89 -70.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.447 HG23 ' N ' ' A' ' 116' ' ' GLN . 9.0 tp -54.13 -39.98 44.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.447 ' N ' HG23 ' A' ' 115' ' ' ILE . 10.9 tp60 -53.77 -37.17 63.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.549 ' CZ3' ' HG2' ' A' ' 96' ' ' LYS . 22.9 t90 -86.1 -50.44 7.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -42.73 -24.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.522 ' HD2' ' CD2' ' A' ' 30' ' ' TRP . 14.1 tptm -58.57 -69.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.438 ' HB3' ' NZ ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -59.92 -35.71 75.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -59.09 -18.96 40.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -89.05 -44.95 10.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -68.85 -37.69 79.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.26 -44.79 53.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -92.1 -45.85 8.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -50.0 122.84 7.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -121.78 41.64 3.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 64.41 78.31 0.21 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.497 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -135.17 115.8 13.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.755 0.312 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -50.47 127.1 16.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.563 ' CE2' ' HA ' ' A' ' 57' ' ' MET . 27.5 t80 -135.37 120.05 18.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.964 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.4 m120 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 110.895 -179.962 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.773 0.32 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 68.2 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.896 0.379 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -132.14 -67.39 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -50.0 -62.15 1.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -53.17 -43.32 66.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.8 mmt -54.51 -40.38 68.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.3 mt -79.94 -39.38 30.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.25 -47.13 84.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.069 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.521 ' CE2' ' HD2' ' A' ' 119' ' ' LYS . 14.6 t90 -50.98 -45.79 61.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.5 t -74.61 -41.63 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -55.53 -20.55 13.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -103.72 -27.52 12.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.488 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 23.7 m -63.23 -58.0 8.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.656 ' C ' ' CD2' ' A' ' 36' ' ' HIS . 0.8 OUTLIER -124.44 37.01 4.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.656 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 7.0 p80 46.41 54.93 8.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.57 HD11 ' CE2' ' A' ' 39' ' ' TYR . 2.6 mm? -84.05 162.43 20.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -133.93 37.24 3.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.57 ' CE2' HD11 ' A' ' 37' ' ' LEU . 24.0 m-85 -79.8 117.25 20.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.9 m -83.59 -13.6 54.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -143.34 142.52 31.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.576 HG13 ' CE1' ' A' ' 112' ' ' PHE . 14.4 mm -54.27 -40.85 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -52.05 -28.0 15.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -63.3 -44.92 93.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 46' ' ' CYS . 14.8 mt -41.94 -28.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 47' ' ' SER . 30.4 p -36.21 -36.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 46' ' ' CYS . 2.8 p -34.46 -41.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 87.85 -46.94 3.49 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -33.65 -55.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.8 -59.85 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -45.9 -40.48 10.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.925 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.6 m -64.14 -54.33 35.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -53.13 -32.14 45.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.488 ' CE1' ' HB3' ' A' ' 34' ' ' SER . 10.0 m-85 -63.62 -52.3 61.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.574 ' HE2' ' CD1' ' A' ' 89' ' ' PHE . 65.5 mmm -43.87 -43.3 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -62.15 -48.1 81.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.511 ' HA ' ' CD2' ' A' ' 131' ' ' TYR . 3.4 ttm -57.23 -63.04 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.415 ' CD2' ' HB2' ' A' ' 126' ' ' TYR . 51.6 mt -54.44 -63.56 1.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -113.33 115.87 46.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 138.28 37.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.342 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.1 22.16 70.46 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 31.4 t -95.81 -28.12 14.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.86 0.362 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.9 p -131.66 162.95 38.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.493 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 3.6 t-160 -113.71 95.36 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mp -62.48 -27.16 68.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.493 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 6.6 tpm_? -57.0 -39.26 74.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -83.26 -14.38 53.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.4 t -74.43 131.4 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.563 ' HE3' ' CD2' ' A' ' 80' ' ' HIS . 34.8 mttt -102.73 102.88 13.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -75.46 -38.24 59.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -84.78 37.84 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.48 123.64 24.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -121.47 -36.88 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 77.9 mt -79.6 164.24 23.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.5 tt0 -63.92 -59.02 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.417 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 2.3 p80 -45.46 -40.37 8.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 12.4 mt-10 -57.36 -35.81 70.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.568 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.1 m-85 -61.4 -40.55 94.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.2 mp -70.17 -46.49 71.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.563 ' CD2' ' HE3' ' A' ' 69' ' ' LYS . 26.5 t60 -45.86 -63.17 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -44.25 -36.2 2.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.416 ' HB3' ' CG2' ' A' ' 100' ' ' VAL . 13.0 m-85 -75.49 -42.65 52.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -42.8 -57.84 2.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.85 -34.78 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.4 tp -62.47 -45.46 92.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -50.92 -37.22 42.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.87 90.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.18 -15.79 11.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.574 ' CD1' ' HE2' ' A' ' 55' ' ' MET . 3.1 m-85 -87.86 -53.81 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -67.93 -33.07 73.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 92' ' ' MET . 0.0 OUTLIER -44.84 -37.43 3.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.448 ' SD ' ' CG2' ' A' ' 94' ' ' VAL . 8.8 ptp -102.34 -40.17 6.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.43 22.37 1.2 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.448 ' CG2' ' SD ' ' A' ' 92' ' ' MET . 27.6 t -60.85 110.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.18 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -83.02 35.49 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.565 ' HG3' ' CH2' ' A' ' 117' ' ' TRP . 2.1 tmtm? -112.33 85.46 2.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 98' ' ' ILE . 86.2 mt -48.47 136.34 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.443 ' N ' HG22 ' A' ' 97' ' ' ILE . 68.6 mt -103.66 99.41 15.62 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.637 0.732 . . . . 0.0 111.12 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 79.94 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.336 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.497 ' O ' ' N ' ' A' ' 102' ' ' LYS . 41.5 t -69.93 -63.18 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -38.81 -26.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 100' ' ' VAL . 18.4 mttt -96.89 -47.82 5.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.0 mt -55.58 -46.96 77.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.43 HG21 ' N ' ' A' ' 105' ' ' LYS . 25.3 m -55.83 -34.25 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.43 ' N ' HG21 ' A' ' 104' ' ' VAL . 24.7 mmmt -45.93 -35.51 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 88.15 33.12 11.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -77.31 176.95 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.347 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.594 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 2.5 t80 -106.78 -36.32 6.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.425 ' C ' ' N ' ' A' ' 111' ' ' ASN . 3.7 tp60 -74.7 -70.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -43.43 -22.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.425 ' N ' ' C ' ' A' ' 109' ' ' GLN . 2.3 m-80 -84.07 -48.08 10.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.594 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 2.5 m-85 -46.99 -49.69 20.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -56.01 -48.15 76.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.453 ' CE1' ' HE3' ' A' ' 96' ' ' LYS . 8.9 t80 -60.95 -71.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.82 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 6.7 tp -49.05 -42.76 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.499 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 1.3 tp60 -52.37 -57.48 9.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.565 ' CH2' ' HG3' ' A' ' 96' ' ' LYS . 16.7 t90 -65.74 -32.35 73.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -55.74 -33.58 64.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.521 ' HD2' ' CE2' ' A' ' 30' ' ' TRP . 24.0 tptp -61.13 -71.03 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.19 -39.17 43.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -64.29 -29.85 70.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.523 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -72.56 -41.21 66.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -74.16 -35.4 64.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.41 -36.22 31.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -103.92 -46.55 4.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.415 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 62.6 t80 -52.56 101.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -95.02 40.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 65.41 47.96 73.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.518 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.431 ' NZ ' ' O ' ' A' ' 57' ' ' MET . 12.2 ptmm? -101.19 108.24 19.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -50.35 122.39 6.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.511 ' CD2' ' HA ' ' A' ' 57' ' ' MET . 7.7 t80 -136.54 118.19 14.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.8 m120 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.654 0.74 . . . . 0.0 110.888 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -50.18 -57.31 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.883 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 m -55.88 137.97 49.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.56 -160.73 13.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.435 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.1 p 42.51 27.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 0.0 110.839 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 t -64.59 -60.91 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.89 83.92 0.45 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.419 ' C ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -127.42 167.4 16.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 110.864 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.85 124.23 46.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.423 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 99.4 t -82.0 91.36 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.065 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 10' ' ' VAL . 11.6 m120 -36.83 154.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.438 ' CG2' ' HA ' ' A' ' 121' ' ' PHE . 11.1 t -114.27 126.87 71.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -103.35 -71.58 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.8 t 56.54 41.2 28.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.2 p -90.77 79.72 5.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -157.11 160.83 39.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.3 m -44.31 -54.5 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.0 t -47.48 145.48 2.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.5 p -150.61 113.0 4.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -111.42 103.15 11.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -123.63 135.6 54.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.2 mt -89.26 178.24 6.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.956 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 t -118.44 176.49 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -40.32 -60.37 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -48.31 -70.89 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 27' ' ' MET . 2.8 m-20 -47.08 -64.55 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.454 ' C ' ' O ' ' A' ' 26' ' ' ASP . 1.2 mmt -33.39 -41.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.3 mt -79.79 -46.63 16.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -53.02 -37.47 61.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.074 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.559 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 19.2 t90 -56.97 -51.03 70.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.9 t -71.99 -42.78 68.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -56.79 -17.08 7.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -110.07 -18.71 13.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.9 m -70.84 -65.63 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.484 HD12 ' CE2' ' A' ' 54' ' ' PHE . 0.4 OUTLIER -110.8 20.09 17.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 63.77 54.14 1.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.9 mm? -87.85 164.93 15.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -131.08 31.91 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.46 ' CD1' ' HB3' ' A' ' 44' ' ' GLN . 23.0 m-85 -71.59 129.23 38.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 62.1 p -101.89 -0.56 33.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.147 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -149.82 134.99 18.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.54 HG13 ' CE1' ' A' ' 112' ' ' PHE . 7.1 mm -54.25 -28.12 17.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -25.9 65.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.46 ' HB3' ' CD1' ' A' ' 39' ' ' TYR . 13.8 mm100 -58.77 -37.25 75.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.0 mt -54.84 -16.1 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.2 p -48.94 -37.07 18.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 t -45.95 -36.73 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 88.55 -40.88 3.05 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -34.89 -36.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.7 -53.98 33.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -55.46 -34.17 64.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.931 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.7 m -67.99 -41.96 81.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -67.01 -22.8 65.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.484 ' CE2' HD12 ' A' ' 35' ' ' LEU . 12.3 m-85 -74.14 -47.51 35.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 74.5 mmm -49.02 -46.36 43.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.35 -39.41 87.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.564 ' HA ' ' CD2' ' A' ' 131' ' ' TYR . 2.7 ttm -63.0 -58.2 8.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.548 HD21 ' CD1' ' A' ' 122' ' ' PHE . 26.9 mt -66.56 -63.61 1.03 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.405 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 5.3 m-85 -111.22 95.78 27.35 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.8 Cg_endo -69.79 143.49 50.89 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.95 1.05 87.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 11.7 m -95.82 -30.61 13.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.2 p -121.9 149.58 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.436 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 5.0 t-160 -109.17 107.27 17.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 65' ' ' LEU . 0.6 OUTLIER -71.66 -15.38 62.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.436 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -69.31 -39.08 78.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -82.09 -3.74 55.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.2 t -88.69 149.58 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -114.53 95.8 5.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -74.72 -16.06 60.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -102.15 14.94 30.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.57 131.57 25.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.8 pttm -125.85 -31.56 2.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.2 mt -91.1 177.69 6.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.536 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 26.9 tt0 -76.95 -47.3 21.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -55.57 -33.11 63.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.48 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 25.6 mt-10 -66.36 -23.09 66.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.536 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 15.4 m-30 -73.62 -36.94 65.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.44 -48.95 70.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -47.51 -54.92 10.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 77' ' ' GLU . 3.6 m-20 -53.71 -41.08 66.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -66.02 -38.54 88.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.9 mttt -49.79 -65.98 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.4 p -53.22 -36.37 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.093 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.3 tp -64.07 -43.71 94.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -53.69 -33.7 56.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.69 93.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.43 -28.28 66.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -70.83 -56.53 6.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -67.42 -32.76 73.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -48.1 -48.8 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 3.0 ptm -87.7 -45.98 9.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.61 38.21 0.37 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.7 t -73.33 122.8 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 111.127 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -89.46 25.31 1.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.474 ' HG3' ' CH2' ' A' ' 117' ' ' TRP . 2.8 tmtm? -108.32 89.13 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 98' ' ' ILE . 27.0 mm -50.0 141.63 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.464 ' N ' HG22 ' A' ' 97' ' ' ILE . 54.2 mt -105.31 97.71 14.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.741 . . . . 0.0 111.112 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 82.7 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.685 2.257 . . . . 0.0 112.379 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 102' ' ' LYS . 62.8 t -72.16 -57.68 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.17 -27.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 100' ' ' VAL . 10.7 mttp -99.01 -53.86 3.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 18.0 mt -46.99 -47.65 21.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.453 ' O ' ' C ' ' A' ' 105' ' ' LYS . 35.7 m -52.81 -46.65 51.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 104' ' ' VAL . 41.7 mmtt -34.03 -40.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.13 25.44 19.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.413 ' HE2' ' N ' ' A' ' 107' ' ' LYS . 6.9 mmpt? -67.99 168.52 11.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.553 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 4.0 t80 -103.56 -15.1 15.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.468 ' C ' ' CD ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -89.91 -71.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -45.38 -21.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -81.1 -51.26 8.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.553 ' CD2' ' O ' ' A' ' 108' ' ' PHE . 3.4 m-85 -43.61 -50.17 7.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -56.1 -61.71 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -43.84 -70.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.435 HG23 ' N ' ' A' ' 116' ' ' GLN . 7.7 tp -50.78 -47.56 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.468 ' CG ' ' O ' ' A' ' 112' ' ' PHE . 1.2 mm-40 -44.19 -47.94 9.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.474 ' CH2' ' HG3' ' A' ' 96' ' ' LYS . 5.0 t90 -82.66 -19.37 38.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -65.63 -23.44 66.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.559 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 6.2 tmtm? -73.25 -65.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -56.19 -30.25 62.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.438 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 29.2 t80 -70.79 -20.93 62.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.548 ' CD1' HD21 ' A' ' 58' ' ' LEU . 1.3 t80 -86.79 -30.41 21.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -76.88 -27.92 55.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.69 -15.38 63.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.423 ' ND2' ' H ' ' A' ' 10' ' ' VAL . 0.9 OUTLIER -116.35 -39.45 3.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.448 ' CD2' ' CE1' ' A' ' 122' ' ' PHE . 45.5 t80 -65.83 114.3 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -93.21 -39.34 11.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.417 ' HA2' ' CE1' ' A' ' 126' ' ' TYR . . . 147.65 52.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.17 150.78 30.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -86.98 131.71 34.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.564 ' CD2' ' HA ' ' A' ' 57' ' ' MET . 59.2 t80 -130.72 123.45 29.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -95.65 104.37 15.9 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.637 0.732 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -36.22 11.2 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.7 2.267 . . . . 0.0 112.357 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.403 ' C ' ' HG3' ' A' ' 138' ' ' GLN . 16.0 mt -67.17 -53.52 29.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 78.3 mt -47.77 -23.02 0.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.25 -37.04 85.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 17.5 mmm-85 -126.96 30.65 5.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.403 ' HG3' ' C ' ' A' ' 134' ' ' LEU . 7.3 mt-30 -79.68 140.89 36.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -142.53 -79.35 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -114.89 110.52 19.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.936 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -38.24 -34.58 0.13 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 143' ' ' ALA . 93.7 t -47.09 -56.5 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 142' ' ' VAL . . . -35.89 147.62 0.17 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 0.0 111.126 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 116.38 4.54 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.737 2.291 . . . . 0.0 112.281 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 141.6 45.54 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 129.06 17.01 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.262 . . . . 0.0 112.38 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -153.42 144.48 16.15 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.655 0.74 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . 0.492 ' O ' ' N ' ' A' ' 150' ' ' ASP . 53.8 Cg_endo -69.83 4.46 2.21 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 148' ' ' PRO . . . -36.85 92.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 148' ' ' PRO . 1.1 t0 -156.55 121.9 4.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 110.837 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -153.37 126.28 8.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.411 ' CD1' ' N ' ' A' ' 152' ' ' ILE . 3.3 mp -122.75 110.68 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -74.92 142.87 43.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 52.6 p -174.36 172.78 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 124.21 88.09 0.79 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.53 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 150.68 68.68 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.721 2.281 . . . . 0.0 112.322 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 11.2 t -147.2 147.15 30.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 19.2 m -127.29 128.23 45.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.488 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -146.39 145.7 30.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.8 m -51.88 101.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 148.82 98.56 0.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 4' ' ' GLY . 86.8 p -34.56 104.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.9 0.381 . . . . 0.0 110.876 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.2 p -64.04 125.0 23.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.76 96.02 1.32 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.458 ' CA ' ' HE2' ' A' ' 92' ' ' MET . 0.0 OUTLIER -118.37 177.71 4.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.03 163.02 12.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.049 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 11' ' ' ASN . 60.4 t -122.55 91.09 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 10' ' ' VAL . 1.6 m-80 -35.34 123.03 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.2 t -85.9 111.07 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -133.28 90.94 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.978 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.5 p -107.34 173.51 6.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.5 t -74.29 -25.47 59.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.089 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.9 m 49.43 53.5 12.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -78.06 -31.4 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.16 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.5 p -84.81 -35.94 21.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m 51.44 25.03 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.413 ' O ' ' CD ' ' A' ' 20' ' ' GLU . 2.5 pp20? -97.19 116.07 28.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -91.88 138.11 31.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.4 mt -49.74 176.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 24' ' ' ARG . 88.4 p -110.84 153.59 25.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 23' ' ' SER . 22.3 ptt-85 -36.04 -45.69 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -54.35 -64.81 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -56.72 -54.0 51.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.7 mmt -44.48 -44.94 8.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.426 HD13 ' CA ' ' A' ' 41' ' ' LYS . 28.4 mt -77.76 -35.45 51.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.55 -43.43 97.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.451 ' CD2' ' HG2' ' A' ' 119' ' ' LYS . 26.9 t90 -56.2 -47.21 78.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.8 t -71.49 -48.02 55.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -55.7 -19.22 10.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -106.2 -34.28 7.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 m -54.62 -68.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.829 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.494 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 3.4 mt -108.93 21.34 17.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 59.84 54.87 4.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.494 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.6 mm? -84.49 170.31 13.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -133.42 40.69 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -85.48 112.38 20.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.0 m -79.24 -16.88 55.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.187 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.426 ' CA ' HD13 ' A' ' 28' ' ' LEU . 34.1 mttm -139.53 147.07 40.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.518 HG13 ' CE1' ' A' ' 112' ' ' PHE . 8.4 mm -58.77 -44.58 90.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -48.76 -35.57 14.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -51.59 -49.27 62.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 46' ' ' CYS . 15.4 mt -40.44 -30.09 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 45' ' ' LEU . 30.2 p -34.51 -40.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 46' ' ' CYS . 6.8 t -34.34 -48.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 104.62 -48.6 0.97 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -34.78 -54.91 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.62 -55.95 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -55.52 -42.28 74.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.948 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 14.4 m -61.99 -53.68 52.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -51.58 -27.25 10.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.442 ' CE2' HD12 ' A' ' 35' ' ' LEU . 6.9 m-85 -72.81 -42.99 63.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 52.9 mmm -53.17 -41.27 65.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.48 -46.36 86.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.6 ttm -59.65 -57.71 11.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 39.7 mt -59.69 -66.56 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.571 ' CD2' ' HE1' ' A' ' 92' ' ' MET . 2.3 m-85 -109.51 107.21 59.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.681 0.753 . . . . 0.0 110.879 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.3 Cg_endo -69.8 141.88 46.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.75 28.01 73.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.471 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.9 p -108.58 -34.7 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.361 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.42 HG12 ' CD1' ' A' ' 65' ' ' LEU . 4.0 p -121.45 158.44 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.418 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 4.1 t-160 -111.66 98.01 7.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.42 ' CD1' HG12 ' A' ' 63' ' ' VAL . 3.7 mp -64.9 -35.16 80.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.418 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -49.64 -38.7 33.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.404 ' O ' ' NE2' ' A' ' 80' ' ' HIS . 11.4 mtpt -82.32 -21.17 36.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.3 t -71.58 133.19 32.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.474 ' HE2' ' CG ' ' A' ' 80' ' ' HIS . 27.7 mtmt -101.78 104.95 15.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -74.48 -41.12 61.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -82.76 40.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.02 119.59 19.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.135 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -115.25 -39.17 3.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.6 mt -78.26 164.57 24.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.502 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 2.6 tp10 -63.5 -60.53 3.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.504 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.0 p80 -45.38 -46.4 13.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.504 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 28.7 mt-10 -48.17 -43.83 31.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.502 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 21.9 m-85 -55.35 -46.75 76.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.954 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' PHE . 3.2 mp -60.24 -53.64 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.474 ' CG ' ' HE2' ' A' ' 69' ' ' LYS . 36.4 t60 -39.39 -51.32 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 81' ' ' ASN . 0.3 OUTLIER -59.87 -35.93 75.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 79' ' ' ILE . 18.9 m-85 -73.91 -33.77 64.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -55.48 -59.66 4.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.1 p -60.36 -29.2 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.5 tp -67.42 -46.6 72.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.453 ' NE2' ' HB ' ' A' ' 98' ' ' ILE . 10.3 mm-40 -48.98 -38.31 22.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.95 -37.62 77.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.085 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.99 -34.94 79.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -67.58 -51.99 43.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 91' ' ' LYS . 8.2 mmmm -64.87 -44.49 89.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 90' ' ' LYS . 40.4 mttm -33.75 -44.46 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.571 ' HE1' ' CD2' ' A' ' 59' ' ' PHE . 14.2 ptp -98.26 -45.23 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.38 30.45 0.78 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 72.5 t -57.73 116.66 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -82.71 38.59 0.58 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.556 ' HG2' ' CH2' ' A' ' 117' ' ' TRP . 21.9 tptt -126.19 99.03 5.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.454 HG22 ' N ' ' A' ' 98' ' ' ILE . 19.0 mm -60.78 141.42 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.454 ' N ' HG22 ' A' ' 97' ' ' ILE . 69.0 mt -102.79 99.11 12.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.607 0.718 . . . . 0.0 111.123 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 83.2 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.752 2.301 . . . . 0.0 112.312 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 102' ' ' LYS . 87.4 t -73.83 -58.28 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.088 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -41.95 -24.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 100' ' ' VAL . 14.6 mttt -102.17 -47.42 4.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.2 mt -55.17 -48.93 73.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.962 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 22.1 m -54.03 -27.51 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -65.54 -27.63 68.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.88 35.06 20.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 108' ' ' PHE . 34.4 mttm -71.56 97.19 1.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.826 0.346 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.596 ' CE2' ' CZ ' ' A' ' 112' ' ' PHE . 5.0 t80 -34.59 -37.47 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.461 ' HA ' ' NE2' ' A' ' 109' ' ' GLN . 4.7 tp60 -74.58 -71.0 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -45.41 -21.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.405 ' N ' ' C ' ' A' ' 109' ' ' GLN . 2.4 m-80 -83.4 -41.7 17.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.596 ' CZ ' ' CE2' ' A' ' 108' ' ' PHE . 2.5 m-85 -52.11 -55.28 21.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -52.19 -42.7 63.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -63.04 -70.66 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.418 HG21 ' N ' ' A' ' 116' ' ' GLN . 7.9 tp -53.66 -27.77 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.418 ' N ' HG21 ' A' ' 115' ' ' ILE . 6.5 tp-100 -64.52 -53.32 49.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.556 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 3.8 t90 -71.94 -31.75 66.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -56.65 -35.77 68.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.451 ' HG2' ' CD2' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -62.53 -60.27 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.47 -42.42 91.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -64.3 -24.37 67.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -73.92 -40.72 62.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.03 -33.57 63.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.48 -30.47 62.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.072 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -105.77 -47.41 3.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -43.37 115.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 128' ' ' GLY . 10.5 t70 -114.43 77.28 1.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 127' ' ' ASP . . . 34.51 73.02 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.459 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -137.5 136.95 38.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -89.9 158.75 17.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -152.05 150.88 30.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.472 ' CB ' HD12 ' A' ' 135' ' ' LEU . 5.1 m120 -107.18 92.08 7.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -23.95 30.48 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.743 2.295 . . . . 0.0 112.362 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 46.4 mt -75.84 -57.4 3.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.472 HD12 ' CB ' ' A' ' 132' ' ' ASN . 86.2 mt -39.96 -42.4 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -43.49 -43.16 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -118.45 45.16 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -105.69 105.17 15.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -79.47 -58.02 3.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.466 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -127.92 166.34 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.903 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -91.49 -43.52 9.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 90.6 t -38.81 -46.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -42.05 139.84 1.64 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.605 0.716 . . . . 0.0 111.041 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 142.65 48.36 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.668 2.246 . . . . 0.0 112.34 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 134.08 27.14 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.331 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 159.23 54.16 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.659 2.239 . . . . 0.0 112.348 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.76 135.65 19.71 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 81.64 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.24 . . . . 0.0 112.324 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 158.24 -99.0 0.18 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 6.1 t0 71.09 36.97 1.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 110.839 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -108.18 124.16 49.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 69.5 mt -94.05 124.01 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -108.46 139.06 43.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 58.0 p -116.38 -43.15 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 79.95 131.05 0.88 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 160.45 49.64 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.656 2.237 . . . . 0.0 112.324 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 5.9 m -74.37 116.41 15.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.3 t -66.22 -58.05 6.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.816 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.7 p -90.33 146.56 24.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.93 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -121.63 108.56 13.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.48 106.85 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.2 p -90.0 118.41 29.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.915 0.388 . . . . 0.0 110.826 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 p -118.01 178.77 4.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.14 88.49 1.5 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.07 174.81 10.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.778 0.323 . . . . 0.0 110.847 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' CB ' ' SD ' ' A' ' 92' ' ' MET . . . -97.4 166.2 11.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 11' ' ' ASN . 60.6 t -128.63 87.15 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 10' ' ' VAL . 1.0 OUTLIER -34.03 142.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -107.24 85.35 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.548 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -117.05 96.85 5.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 t -166.22 -179.62 5.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.836 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.416 ' O ' ' CG2' ' A' ' 15' ' ' THR . 13.8 t -82.45 50.93 1.73 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 t -89.02 33.9 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 18' ' ' THR . 58.4 t -104.74 -59.41 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' VAL . 10.2 t -36.28 -42.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.7 t -48.64 146.43 3.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -65.8 100.78 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -52.91 148.47 7.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.7 mt -71.71 159.27 34.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 24' ' ' ARG . 27.5 p -111.18 162.86 14.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 23' ' ' SER . 15.4 ptt-85 -34.58 -37.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 23' ' ' SER . 41.7 t-80 -64.38 -72.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -51.64 -48.03 63.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.8 mmt -48.67 -47.49 40.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 mt -72.35 -51.14 21.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.21 -44.21 32.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.565 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 16.3 t90 -52.62 -40.71 63.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.9 t -80.55 -46.26 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.167 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -57.67 -12.1 2.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -111.61 -33.37 6.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 m -58.07 -66.24 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.483 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 6.2 mt -108.84 17.38 21.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 64.06 54.93 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.483 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.6 mm? -86.08 165.79 16.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -130.9 31.86 4.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -72.1 125.83 28.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.422 ' C ' ' HG3' ' A' ' 41' ' ' LYS . 6.3 m -92.5 -5.52 51.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.422 ' HG3' ' C ' ' A' ' 40' ' ' THR . 27.3 mtmt -151.68 143.12 23.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.559 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 6.1 mm -58.5 -33.56 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.52 -26.45 65.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -60.94 -37.09 81.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.5 mt -53.14 -20.57 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 23.6 p -46.34 -34.97 4.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.1 m -45.19 -39.13 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 92.17 -38.23 3.23 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -35.48 -51.72 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 111.11 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.33 -58.0 9.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -46.89 -34.92 5.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 37.8 m -69.2 -54.48 14.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -55.11 -22.99 18.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -71.42 -43.34 66.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.1 mmm -58.84 -31.78 68.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -63.5 -45.75 89.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.6 ttp -67.78 -54.66 17.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.4 mt -61.47 -65.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.539 ' CD2' ' HE1' ' A' ' 92' ' ' MET . 2.3 m-85 -114.23 98.46 48.54 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.639 0.733 . . . . 0.0 110.867 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 144.27 53.61 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.355 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.1 15.37 71.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -107.3 -34.21 7.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.356 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.1 p -116.61 149.27 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -108.67 107.89 18.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mp -76.37 -32.97 58.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -49.15 -41.48 36.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -80.16 -20.74 44.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.9 t -70.23 135.98 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.9 mttm -103.17 100.57 10.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -71.67 -35.62 70.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -89.53 33.51 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.97 121.31 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.053 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 73' ' ' LYS . 2.1 tmmm? -122.45 -19.55 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.6 mt -94.46 162.02 13.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.558 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 56.9 tt0 -61.54 -60.51 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.428 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.6 p80 -47.03 -40.72 15.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 25.6 mt-10 -56.36 -35.93 68.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.558 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 20.7 m-85 -62.52 -38.13 88.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.8 mp -71.8 -48.41 51.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -44.84 -54.28 6.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -56.72 -30.1 63.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.503 ' CG ' HG21 ' A' ' 100' ' ' VAL . 10.3 m-85 -77.75 -35.85 51.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -52.28 -62.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.7 p -57.88 -38.92 68.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.093 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 30.3 tp -59.1 -45.67 90.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.455 ' NE2' ' HB ' ' A' ' 98' ' ' ILE . 7.5 mm-40 -51.48 -44.23 62.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.61 -40.64 69.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.32 -35.49 75.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.419 ' CE2' HD13 ' A' ' 98' ' ' ILE . 3.2 m-85 -64.22 -51.34 64.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -66.52 -41.53 88.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 90' ' ' LYS . 25.9 mttp -34.35 -36.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.539 ' HE1' ' CD2' ' A' ' 59' ' ' PHE . 12.6 ptp -107.28 -42.12 4.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 124.08 39.71 0.48 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.54 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.412 ' CG1' ' HB3' ' A' ' 96' ' ' LYS . 41.2 t -64.78 118.42 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 111.121 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -83.36 37.57 0.57 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.531 ' HG2' ' CH2' ' A' ' 117' ' ' TRP . 13.1 tptm -129.14 105.95 8.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.456 HG23 ' N ' ' A' ' 98' ' ' ILE . 80.8 mt -66.37 140.24 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.456 ' N ' HG23 ' A' ' 97' ' ' ILE . 62.4 mt -99.69 100.52 11.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 111.133 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 83.6 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.362 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.503 HG21 ' CG ' ' A' ' 82' ' ' PHE . 91.0 t -75.07 -52.22 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -48.31 -23.52 0.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -102.48 -47.27 4.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.407 HD13 ' CZ ' ' A' ' 82' ' ' PHE . 15.4 mt -53.48 -47.29 69.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.9 m -53.3 -35.3 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -52.92 -34.15 53.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.31 3.77 64.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.515 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -45.68 106.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.329 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.587 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 2.4 t80 -44.74 -38.7 4.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.412 ' C ' ' N ' ' A' ' 111' ' ' ASN . 21.7 tp60 -67.41 -71.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.74 -21.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.412 ' N ' ' C ' ' A' ' 109' ' ' GLN . 3.8 m-80 -81.35 -42.15 20.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.587 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 3.7 m-85 -56.34 -46.38 79.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -56.58 -48.4 77.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -59.49 -70.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 116' ' ' GLN . 9.5 tp -49.89 -46.78 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 18.1 tp60 -48.86 -51.0 32.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.531 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 10.5 t90 -77.83 -20.6 52.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -66.95 -25.95 66.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.565 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 24.3 tptt -71.0 -60.96 1.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -57.32 -46.18 83.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -59.38 -19.82 49.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.73 ' CZ ' ' CD2' ' A' ' 126' ' ' TYR . 0.3 OUTLIER -86.34 -30.43 22.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -77.52 -34.52 53.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -52.96 -30.1 32.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -108.53 -44.59 4.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.73 ' CD2' ' CZ ' ' A' ' 122' ' ' PHE . 39.3 t80 -56.97 129.95 43.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -115.17 -41.24 3.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 155.88 58.47 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.19 107.6 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.35 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.87 132.72 54.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -124.54 135.36 53.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.434 ' CG ' ' HG ' ' A' ' 135' ' ' LEU . 0.1 OUTLIER -101.21 102.4 20.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 110.893 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.423 ' HG3' ' C ' ' A' ' 35' ' ' LEU . 53.7 Cg_endo -69.78 -35.44 12.58 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.287 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.6 -43.8 97.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.434 ' HG ' ' CG ' ' A' ' 132' ' ' ASN . 49.2 mt -54.65 -28.09 44.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.952 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.93 -27.92 69.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -126.81 33.42 4.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -93.88 170.28 9.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -134.59 -44.79 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.434 ' CG ' ' HB3' ' A' ' 143' ' ' ALA . 0.2 OUTLIER -136.2 151.23 49.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.888 -179.863 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -89.87 -49.85 6.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.835 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 72.4 t -37.92 -43.78 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.434 ' HB3' ' CG ' ' A' ' 140' ' ' GLN . . . -44.11 147.85 0.89 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.616 0.722 . . . . 0.0 111.126 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 110.37 2.54 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.648 2.232 . . . . 0.0 112.337 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 156.03 64.33 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.709 2.273 . . . . 0.0 112.339 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 161.39 46.12 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.674 2.249 . . . . 0.0 112.286 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -39.72 131.93 1.42 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.718 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -49.8 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.647 2.232 . . . . 0.0 112.328 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.7 65.49 1.01 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -88.72 35.57 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.789 0.328 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -53.61 146.91 12.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 26.7 mt -92.52 109.17 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -98.14 149.01 22.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 49.6 m -158.18 168.0 28.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 145.94 144.38 4.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 95.39 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.686 2.258 . . . . 0.0 112.357 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.2 m -57.75 -61.32 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 32.9 p -45.92 -43.23 13.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.512 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -95.41 127.22 41.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.917 0.389 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -99.81 -51.04 3.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.59 177.81 21.45 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -130.64 110.71 11.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -142.7 143.43 32.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.811 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.35 -19.57 39.53 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.524 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 ptp -132.64 166.44 22.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.768 0.318 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.13 157.41 34.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 11' ' ' ASN . 50.3 t -126.54 87.54 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.511 ' CB ' ' CE2' ' A' ' 13' ' ' TYR . 1.7 m-80 -34.4 127.31 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 t -88.24 77.26 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.511 ' CE2' ' CB ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -112.61 38.66 2.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.979 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.2 m -85.17 179.44 7.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.866 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.1 t -41.05 130.07 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.1 p -46.22 162.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.9 m -89.61 -176.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.3 p -134.51 -44.16 0.76 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 t -75.34 167.26 22.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -81.16 -61.02 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -174.58 149.6 1.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.7 mt -57.65 -179.63 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 26' ' ' ASP . 66.4 m -108.95 143.17 38.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 23' ' ' SER . 5.3 ptt180 -34.89 -35.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 23' ' ' SER . 52.3 t-80 -65.01 -52.29 56.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 23' ' ' SER . 14.6 m-20 -68.9 -48.19 63.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.1 mmt -52.78 -46.09 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 mt -76.68 -50.88 12.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.67 -36.1 15.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.569 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 11.4 t90 -62.32 -44.56 96.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.3 t -74.14 -44.04 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -50.54 -25.35 4.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.8 -36.53 9.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.7 m -47.56 -75.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.495 HD11 ' CD2' ' A' ' 54' ' ' PHE . 2.3 mt -106.16 21.77 16.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 62.94 54.96 2.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.477 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 3.2 mm? -87.72 161.83 17.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -129.45 41.92 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -81.66 131.93 35.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.1 t -95.35 -9.31 33.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.105 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -150.2 147.31 27.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.571 HG13 ' CE1' ' A' ' 112' ' ' PHE . 6.2 mm -55.81 -48.52 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 9.4 pt-20 -43.2 -35.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.418 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 14.7 mm-40 -52.31 -42.64 63.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.1 mt -49.99 -32.79 16.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' SER . 14.3 p -40.42 -33.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' CYS . 2.8 p -36.0 -44.53 0.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 103.81 -48.58 1.0 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.504 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 50' ' ' ALA . . . -36.9 -65.21 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.762 0.315 . . . . 0.0 111.08 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 49' ' ' ALA . . . -35.73 -66.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.067 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -42.49 -39.32 2.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.463 ' CB ' HG23 ' A' ' 68' ' ' VAL . 7.7 m -66.97 -51.0 60.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.877 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -57.67 -23.29 50.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.495 ' CD2' HD11 ' A' ' 35' ' ' LEU . 10.0 m-85 -71.93 -42.27 66.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 27.8 mmm -58.45 -39.69 80.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -61.53 -36.91 81.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.0 ttm -69.34 -56.52 7.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 39.5 mt -66.67 -58.97 4.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.489 ' CG ' ' HE3' ' A' ' 92' ' ' MET . 1.7 m-85 -111.93 96.92 35.96 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.641 0.734 . . . . 0.0 110.95 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 144.62 54.71 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.706 2.27 . . . . 0.0 112.312 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.55 26.57 68.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.445 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.9 t -112.99 -35.41 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.6 p -116.48 150.78 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.618 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 2.0 t60 -101.85 117.37 34.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.59 -31.73 18.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.579 ' HB2' ' CD2' ' A' ' 64' ' ' HIS . 13.2 mmm180 -56.54 -18.82 12.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.618 ' HG3' ' CD2' ' A' ' 64' ' ' HIS . 15.1 mttt -100.93 -9.26 21.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.463 HG23 ' CB ' ' A' ' 52' ' ' CYS . 55.9 t -83.41 144.2 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.439 ' HZ2' ' CG ' ' A' ' 80' ' ' HIS . 13.3 mttp -106.64 103.33 12.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -76.34 -30.51 57.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -95.63 33.57 1.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.44 132.66 48.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -129.24 -30.63 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.5 mt -83.19 166.31 18.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 14.6 tt0 -70.49 -57.52 4.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -48.47 -38.51 20.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.813 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -57.58 -32.51 67.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.568 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 15.9 m-30 -62.28 -42.37 99.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.2 mp -67.35 -46.32 83.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.439 ' CG ' ' HZ2' ' A' ' 69' ' ' LYS . 71.1 t60 -46.58 -59.01 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.91 -32.6 61.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.552 ' CZ ' HD12 ' A' ' 103' ' ' LEU . 6.0 m-85 -71.77 -41.39 68.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -52.54 -71.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.5 p -44.97 -37.52 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.3 tp -66.7 -37.85 85.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -55.18 -41.26 71.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.44 -39.93 70.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.93 -36.1 74.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -62.49 -54.11 44.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' MET . 62.2 mmtt -66.2 -39.24 89.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 90' ' ' LYS . 3.1 mtpm? -34.15 -35.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.489 ' HE3' ' CG ' ' A' ' 59' ' ' PHE . 12.6 ptp -108.16 -47.16 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.845 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 135.52 29.62 0.37 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.52 115.5 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.338 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -84.69 26.29 0.83 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.554 ' HG3' ' CZ2' ' A' ' 117' ' ' TRP . 2.5 tmtm? -111.41 92.82 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.3 mm -60.28 129.52 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 52.4 mt -86.34 109.68 25.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 111.148 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 81.11 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.331 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 102' ' ' LYS . 42.9 t -74.86 -62.6 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -40.36 -25.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 100' ' ' VAL . 16.2 mttm -99.18 -51.02 3.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.552 HD12 ' CZ ' ' A' ' 82' ' ' PHE . 12.2 mt -51.53 -50.55 59.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 22.6 m -51.66 -35.27 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -50.47 -43.3 55.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 107' ' ' LYS . . . 106.88 -14.26 41.25 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.475 ' N ' ' HD2' ' A' ' 107' ' ' LYS . 5.9 mptt -34.18 121.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.555 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 2.4 t80 -60.95 -21.24 63.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 111' ' ' ASN . 4.7 tp60 -84.18 -71.06 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.55 -23.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 109' ' ' GLN . 4.0 m-80 -81.46 -46.53 14.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.571 ' CE1' HG13 ' A' ' 42' ' ' ILE . 3.3 m-85 -52.32 -50.78 61.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -52.31 -38.47 58.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -73.48 -69.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 116' ' ' GLN . 10.1 tp -52.54 -25.57 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 5.1 tp-100 -68.81 -46.06 69.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.554 ' CZ2' ' HG3' ' A' ' 96' ' ' LYS . 5.1 t90 -78.06 -31.25 50.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -57.65 -27.47 62.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.569 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 17.6 tptm -63.04 -68.28 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.4 pttt -54.83 -44.02 73.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -56.01 -34.94 66.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -67.72 -38.67 83.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -71.22 -38.78 71.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.58 -32.25 18.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -102.32 -45.71 5.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -63.93 129.5 40.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.06 -40.37 3.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 160.2 41.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.505 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -90.41 176.88 6.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.99 133.36 55.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -136.9 145.95 44.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.955 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.465 ' CB ' HD12 ' A' ' 135' ' ' LEU . 4.1 m120 -107.18 93.76 9.96 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -17.62 37.66 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.371 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 31.2 mt -81.64 -56.43 4.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.465 HD12 ' CB ' ' A' ' 132' ' ' ASN . 77.9 mt -45.57 -32.47 2.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -50.72 -39.58 52.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -125.12 43.01 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -99.16 176.94 5.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 172.14 -92.97 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.97 156.78 30.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 110.923 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 142' ' ' VAL . 14.5 m-20 -90.03 -45.1 9.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 141' ' ' ASP . 86.3 t -34.69 -49.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -44.53 138.59 3.77 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 111.042 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 137.22 34.83 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 146.29 59.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.335 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 175.95 7.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.282 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -140.36 145.73 42.45 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.732 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -42.52 3.3 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 48.91 96.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -156.2 121.46 4.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.767 0.318 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -83.85 148.91 26.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 19.4 tt -82.71 118.38 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.172 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -167.65 115.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 68.9 m -151.73 116.44 5.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.802 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 160.71 127.46 0.89 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.508 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 115.73 4.24 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.637 2.225 . . . . 0.0 112.324 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 26.7 t -52.71 148.43 7.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 8.5 t -110.62 124.48 51.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -133.96 145.87 49.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.809 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.2 m -149.55 117.9 6.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.0 135.75 4.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.502 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -64.68 -66.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.359 . . . . 0.0 110.889 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.0 p -65.11 116.27 6.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.903 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.43 -111.94 0.27 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.52 166.38 13.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.477 ' N ' ' HE3' ' A' ' 92' ' ' MET . . . -65.53 112.27 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' ASN . 86.5 t -78.92 89.74 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.143 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.53 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 1.7 m-80 -37.09 105.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.9 t -70.06 91.47 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.53 ' CE1' ' HB3' ' A' ' 11' ' ' ASN . 4.1 m-85 -103.68 32.62 3.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.1 m -132.12 -176.31 4.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.1 p -81.82 175.97 9.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 m -54.54 160.34 1.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.7 p -100.49 -4.8 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.1 p -122.31 -65.23 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' GLU . 12.5 t -154.8 163.82 39.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 19' ' ' SER . 4.3 mm-40 -35.87 -43.81 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -170.2 136.26 1.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.5 mt -84.84 -178.75 6.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m -121.79 163.73 18.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -40.07 -43.44 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -55.32 -71.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 29' ' ' ALA . 84.7 m-20 -52.66 -58.3 7.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.7 mmt -40.93 -42.41 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.9 mt -81.31 -29.34 34.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -67.79 -39.52 84.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.05 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.558 ' CD1' ' HE3' ' A' ' 119' ' ' LYS . 26.4 t90 -62.14 -38.18 88.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.5 t -81.88 -42.34 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -62.01 -20.59 64.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.57 -22.02 14.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.6 m -73.4 -63.52 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.651 ' C ' ' CD2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -114.53 39.28 2.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.651 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 6.4 p80 40.83 54.34 3.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.49 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -81.56 154.89 25.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -123.13 36.19 4.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.516 ' CE2' HD22 ' A' ' 45' ' ' LEU . 21.4 m-85 -75.59 125.0 28.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 29.5 m -88.64 -11.49 45.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -150.97 153.58 35.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.495 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 3.6 mm -63.44 -31.24 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.402 ' O ' ' SG ' ' A' ' 46' ' ' CYS . 6.2 pt-20 -62.69 -25.83 68.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -64.18 -37.2 86.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.516 HD22 ' CE2' ' A' ' 39' ' ' TYR . 21.1 mt -49.34 -31.68 9.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 47' ' ' SER . 31.8 p -36.61 -35.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.504 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 79.3 p -31.58 -51.58 0.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.96 -36.26 4.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.01 -56.53 13.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.777 0.322 . . . . 0.0 111.13 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -40.49 -58.39 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -49.16 -39.45 29.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.448 ' CB ' HG23 ' A' ' 68' ' ' VAL . 13.3 m -63.19 -60.13 3.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -46.06 -25.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.405 ' CE2' HD11 ' A' ' 35' ' ' LEU . 7.6 m-85 -75.13 -47.47 28.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.441 ' HG3' ' CD1' ' A' ' 85' ' ' LEU . 75.8 mmm -46.13 -46.78 17.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.52 -45.47 93.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.553 ' HA ' ' CD2' ' A' ' 131' ' ' TYR . 4.0 ttm -54.19 -60.55 3.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.454 HD22 ' CD2' ' A' ' 122' ' ' PHE . 21.9 mt -59.49 -58.65 7.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.57 ' CD2' ' HE2' ' A' ' 92' ' ' MET . 3.0 m-85 -118.57 108.85 40.81 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.656 0.741 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.89 46.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.267 . . . . 0.0 112.389 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.92 29.51 73.64 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.9 p -111.49 -31.84 6.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.86 0.362 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.426 HG12 ' CD1' ' A' ' 65' ' ' LEU . 2.8 p -124.1 162.51 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 66' ' ' ARG . 3.1 t-160 -113.18 95.7 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.426 ' CD1' HG12 ' A' ' 63' ' ' VAL . 1.8 mp -62.95 -29.69 70.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.558 ' HB2' ' CD2' ' A' ' 64' ' ' HIS . 7.0 mpt_? -58.75 -38.51 78.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.419 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 0.7 OUTLIER -84.3 -15.47 46.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.448 HG23 ' CB ' ' A' ' 52' ' ' CYS . 29.0 t -66.34 129.9 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.519 ' HE3' ' CD2' ' A' ' 80' ' ' HIS . 19.8 mmtp -90.36 93.09 9.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -78.09 -34.43 50.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -100.25 31.81 3.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.11 122.19 14.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.056 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -115.67 -35.93 4.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.2 mt -82.65 168.77 16.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.561 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 24.9 tt0 -66.39 -57.83 6.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.414 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 2.7 p80 -49.45 -39.4 33.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.414 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 26.6 mt-10 -57.96 -33.3 68.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 23.1 m-85 -61.8 -39.7 92.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 82' ' ' PHE . 4.7 mp -72.95 -48.5 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.519 ' CD2' ' HE3' ' A' ' 69' ' ' LYS . 24.8 t60 -33.81 -60.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 47' ' ' SER . 18.7 p30 -51.94 -41.9 62.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.498 ' CG ' HG22 ' A' ' 100' ' ' VAL . 8.1 m-85 -65.13 -36.39 84.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -56.02 -61.26 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.5 p -59.07 -31.17 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.441 ' CD1' ' HG3' ' A' ' 55' ' ' MET . 38.6 tp -68.42 -47.75 66.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -48.88 -35.62 15.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.12 -44.14 96.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.41 -28.9 69.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -69.24 -52.39 28.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 91' ' ' LYS . 43.3 mmtt -69.31 -39.89 77.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 90' ' ' LYS . 34.4 mttm -34.69 -52.87 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.57 ' HE2' ' CD2' ' A' ' 59' ' ' PHE . 3.7 ptm -88.84 -48.28 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.33 51.29 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.4 t -80.98 117.13 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 111.152 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -82.19 37.47 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.558 ' HG2' ' CH2' ' A' ' 117' ' ' TRP . 31.8 tptt -124.54 109.21 12.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.467 HG21 ' N ' ' A' ' 98' ' ' ILE . 23.2 mm -68.93 142.07 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.125 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.467 ' N ' HG21 ' A' ' 97' ' ' ILE . 70.4 mt -103.43 96.84 9.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.686 0.755 . . . . 0.0 111.172 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 82.46 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.672 2.248 . . . . 0.0 112.371 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.498 HG22 ' CG ' ' A' ' 82' ' ' PHE . 61.1 t -71.46 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.109 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -41.6 -24.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 100' ' ' VAL . 12.0 mttt -99.69 -45.12 5.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.433 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 15.8 mt -57.73 -47.43 82.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.3 m -53.31 -26.57 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.19 -34.33 77.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.53 34.59 13.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.44 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -74.66 104.91 5.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.663 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 2.8 t80 -39.9 -34.94 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.502 ' C ' ' CD ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -71.05 -72.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -48.76 -21.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -79.39 -50.03 11.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.663 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 2.5 m-85 -46.34 -48.36 18.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -55.11 -61.73 2.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.407 ' CD1' HD13 ' A' ' 103' ' ' LEU . 5.4 t80 -43.35 -71.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 5.7 tp -51.7 -42.12 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.504 ' CG ' ' O ' ' A' ' 112' ' ' PHE . 33.5 mm-40 -52.74 -61.01 2.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.558 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 7.9 t90 -62.91 -29.99 71.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.4 ' HE2' ' CD2' ' A' ' 54' ' ' PHE . 1.6 t80 -58.82 -34.22 71.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.558 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 22.3 tptm -60.75 -62.9 1.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -57.31 -45.27 84.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -57.33 -29.05 63.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.454 ' CD2' HD22 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -73.08 -41.31 64.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -71.79 -32.03 67.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -55.25 -39.49 69.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.064 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -100.52 -46.92 5.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.415 ' CB ' ' O ' ' A' ' 122' ' ' PHE . 65.5 t80 -52.94 109.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -105.29 40.24 1.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 67.32 54.14 21.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 11.3 ptmm? -112.28 100.49 8.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.757 0.313 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -40.2 138.81 0.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.842 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.553 ' CD2' ' HA ' ' A' ' 57' ' ' MET . 33.8 t80 -150.59 114.11 4.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.412 ' CB ' HD11 ' A' ' 135' ' ' LEU . 3.3 m-20 -82.78 110.75 24.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.622 0.725 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.414 ' CB ' ' HA ' ' A' ' 35' ' ' LEU . 53.3 Cg_endo -69.81 -36.73 10.15 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.569 HD21 ' CE1' ' A' ' 36' ' ' HIS . 7.0 mt -65.18 -66.45 0.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.412 HD11 ' CB ' ' A' ' 132' ' ' ASN . 54.5 mt -37.36 -41.4 0.42 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -42.39 -47.75 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 138' ' ' GLN . 16.4 mmm180 -86.61 -42.63 13.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 137' ' ' ARG . 96.6 mm-40 -35.08 134.26 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -145.35 -59.68 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.413 ' NE2' ' H ' ' A' ' 140' ' ' GLN . 0.0 OUTLIER -77.73 177.37 8.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 110.904 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.16 -38.01 25.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 44.3 t -131.18 -70.64 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -162.21 165.21 16.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.568 0.699 . . . . 0.0 111.105 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 167.53 24.15 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.698 2.265 . . . . 0.0 112.374 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 147.31 63.12 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.717 2.278 . . . . 0.0 112.371 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 165.61 30.42 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.732 2.288 . . . . 0.0 112.336 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . 0.461 ' ND2' ' HD2' ' A' ' 148' ' ' PRO . 5.9 t-20 -96.4 139.11 21.53 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.635 0.731 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . 0.461 ' HD2' ' ND2' ' A' ' 147' ' ' ASN . 53.7 Cg_endo -69.79 -47.37 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.341 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 85.59 -83.1 1.63 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.468 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 58.8 47.16 13.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.774 0.321 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -83.05 48.68 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 62.2 mt -106.22 120.59 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -109.17 -50.52 2.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.4 t 61.17 42.17 12.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.882 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -134.38 137.76 9.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.537 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 107.08 1.78 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.729 2.286 . . . . 0.0 112.332 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 68.1 p -101.31 84.69 2.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 12.7 t 66.82 41.88 2.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.51 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 p -57.99 115.31 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.831 0.348 . . . . 0.0 110.87 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 t 58.56 43.13 19.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.08 62.99 0.28 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.483 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.1 t -65.79 -54.3 28.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.887 0.375 . . . . 0.0 110.89 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -123.46 158.4 31.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.89 98.13 2.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.39 164.35 30.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.89 169.17 12.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.3 t -134.48 98.31 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.492 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 0.9 OUTLIER -44.5 113.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 t -77.71 95.97 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.492 ' CE1' ' HB3' ' A' ' 11' ' ' ASN . 9.5 m-85 -116.51 31.29 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 56.0 m -112.32 176.47 5.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.832 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.8 p -64.53 174.19 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.165 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 17' ' ' VAL . 60.9 p -78.34 86.39 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.844 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 16' ' ' SER . 10.5 p -36.57 -42.24 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.185 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.7 t -94.1 169.92 9.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 20' ' ' GLU . 2.8 t -46.36 164.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 19' ' ' SER . 10.0 mm-40 -34.47 -39.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -173.31 127.03 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 71.8 mt -66.19 172.26 4.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 24' ' ' ARG . 6.7 m -111.44 152.24 27.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 23' ' ' SER . 4.9 ttt-85 -35.02 -40.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -58.9 -70.04 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 27' ' ' MET . 36.1 m-20 -50.07 -61.73 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' ASP . 3.4 mmt -36.44 -50.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.7 mt -69.91 -46.74 64.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.07 -46.2 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.574 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 14.3 t90 -52.44 -46.01 66.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -72.37 -45.2 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.076 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -61.14 -14.6 25.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -109.62 -31.45 7.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.7 m -58.62 -63.05 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.485 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 3.1 mt -113.49 18.15 17.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 63.89 53.71 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.485 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.5 mm? -85.61 158.62 20.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -119.22 34.03 5.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -76.85 123.61 26.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.9 m -93.18 -8.77 41.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -148.8 146.51 28.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.473 HG13 ' CE1' ' A' ' 112' ' ' PHE . 4.8 mm -58.04 -49.62 80.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -44.19 -33.39 1.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -56.52 -47.19 79.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 46' ' ' CYS . 19.1 mt -39.63 -29.34 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 47' ' ' SER . 30.1 p -37.4 -40.08 0.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' CYS . 13.1 m -35.09 -46.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 97.73 -44.12 1.87 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -34.29 -42.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.783 0.325 . . . . 0.0 111.078 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.52 -60.57 3.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -47.58 -43.19 25.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.0 m -61.01 -49.37 77.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -61.92 -23.06 66.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -72.88 -48.05 40.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 44.6 mmm -49.05 -37.74 21.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.77 -55.74 20.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.513 ' HG3' ' CG ' ' A' ' 131' ' ' TYR . 4.4 ttm -51.16 -57.58 8.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.5 -57.21 10.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -118.74 96.87 50.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.67 0.748 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 142.37 47.96 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.97 20.54 78.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.0 m -111.13 -34.28 6.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.852 0.358 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.9 p -116.78 154.0 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.51 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 4.5 t-160 -107.71 104.16 13.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 mp -73.57 -18.93 61.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.51 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 2.4 tpt180 -63.59 -38.05 89.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -84.62 -15.57 45.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.0 t -74.54 129.22 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.136 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.454 ' HE2' ' CD2' ' A' ' 80' ' ' HIS . 29.3 mttm -98.23 101.84 13.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -73.08 -36.76 66.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -86.54 39.8 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.74 131.39 38.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -130.79 -33.48 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.9 mt -80.85 164.18 22.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.567 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 15.4 tp10 -63.26 -61.74 2.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.422 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.7 p80 -47.07 -40.73 15.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.422 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 17.8 mt-10 -55.36 -32.65 62.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.567 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.0 m-85 -63.79 -43.81 95.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 82' ' ' PHE . 4.1 mp -65.67 -50.64 70.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.454 ' CD2' ' HE2' ' A' ' 69' ' ' LYS . 28.0 t60 -40.32 -57.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.74 -31.99 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.542 ' CZ ' HD11 ' A' ' 103' ' ' LEU . 8.9 m-85 -75.36 -30.63 60.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -56.99 -64.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.9 p -55.97 -36.03 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.8 tp -59.86 -48.97 79.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.49 ' O ' ' CD ' ' A' ' 90' ' ' LYS . 11.4 mm-40 -49.55 -40.94 40.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.77 -41.11 77.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.417 ' O ' ' SD ' ' A' ' 92' ' ' MET . . . -62.48 -32.22 73.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -64.95 -41.48 95.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -75.02 -33.72 61.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -38.9 -33.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.417 ' SD ' ' O ' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -109.84 -35.93 6.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.873 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.18 39.56 0.68 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.456 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 79.9 t -66.95 115.91 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -84.01 36.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.8 tptt -126.07 102.37 7.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.8 mm -67.36 126.3 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 46.2 mt -82.11 111.01 23.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 111.083 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 81.94 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 102' ' ' LYS . 97.4 t -74.82 -59.33 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -44.09 -22.48 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 100' ' ' VAL . 14.4 mttt -100.63 -50.13 3.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.542 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 16.6 mt -52.97 -47.11 68.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.413 ' CG1' HG13 ' A' ' 79' ' ' ILE . 17.6 m -54.68 -25.81 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -65.32 -30.87 71.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.31 23.8 46.43 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 108.94 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.59 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 2.1 t80 -44.2 -35.36 2.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -71.73 -70.75 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -48.22 -20.45 0.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -82.81 -42.0 18.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.59 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 2.9 m-85 -55.03 -50.34 69.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -54.96 -59.53 4.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -45.45 -70.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.408 ' CG2' ' N ' ' A' ' 116' ' ' GLN . 10.1 tp -50.35 -46.23 25.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.408 ' N ' ' CG2' ' A' ' 115' ' ' ILE . 13.3 mm-40 -48.37 -57.85 5.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -66.87 -28.78 68.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -60.72 -28.88 68.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.574 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 22.5 tptp -63.9 -61.58 2.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -58.54 -43.56 89.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -63.72 -22.4 66.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.494 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -77.9 -44.17 27.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.415 ' N ' ' CD1' ' A' ' 122' ' ' PHE . 14.2 t70 -73.11 -20.91 60.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.79 -27.03 68.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 126' ' ' TYR . 20.7 m-80 -117.02 -40.05 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.83 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.569 ' CE2' ' HA2' ' A' ' 128' ' ' GLY . 29.3 t80 -34.09 -66.06 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 59.26 37.5 23.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.569 ' HA2' ' CE2' ' A' ' 126' ' ' TYR . . . 54.5 49.96 58.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 129' ' ' LYS . 5.5 ptmt -95.31 113.06 24.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.37 133.84 34.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.513 ' CG ' ' HG3' ' A' ' 57' ' ' MET . 56.2 t80 -157.25 129.15 7.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.448 ' HB3' ' CD1' ' A' ' 135' ' ' LEU . 0.2 OUTLIER -101.33 112.25 64.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.634 0.731 . . . . 0.0 110.871 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -45.48 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.631 2.221 . . . . 0.0 112.356 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.5 mt -52.62 -50.43 63.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.448 ' CD1' ' HB3' ' A' ' 132' ' ' ASN . 78.5 mt -48.95 -20.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -60.69 -35.46 76.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.07 38.46 3.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -89.4 119.1 29.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 152.02 -58.51 0.42 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.529 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.489 ' NE2' ' HA ' ' A' ' 140' ' ' GLN . 4.0 mm-40 -53.08 111.71 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.818 0.342 . . . . 0.0 110.854 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -58.85 -10.8 2.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.5 t -69.47 -50.64 49.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.41 137.23 97.02 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.599 0.714 . . . . 0.0 111.064 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 153.91 68.35 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 164.88 32.86 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.736 2.291 . . . . 0.0 112.334 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 120.13 6.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.642 2.228 . . . . 0.0 112.298 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -98.97 146.24 31.35 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.64 0.734 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -46.66 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.68 2.253 . . . . 0.0 112.353 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 139.31 -118.65 1.56 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -167.39 138.93 3.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.318 . . . . 0.0 110.833 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.466 ' HB3' ' CE2' ' A' ' 153' ' ' PHE . 65.9 mt-30 -143.24 131.55 22.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 72.3 mt -112.25 109.51 28.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.466 ' CE2' ' HB3' ' A' ' 151' ' ' GLN . 96.8 m-85 -111.23 103.25 11.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 31.7 p -158.73 122.09 3.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -107.67 94.08 0.87 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 95.53 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.718 2.279 . . . . 0.0 112.325 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 95.5 p -80.93 125.99 30.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.1 t -129.12 134.2 47.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 p -160.72 179.19 8.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.7 p -101.89 102.54 13.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.64 -155.78 7.42 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 t -162.32 119.72 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.947 0.403 . . . . 0.0 110.819 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 p -56.56 162.65 2.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.58 -49.97 0.9 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.412 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.5 mmt -119.85 159.24 24.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.764 0.316 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.64 122.88 33.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 11' ' ' ASN . 89.1 t -85.46 89.62 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.17 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' VAL . 1.5 m-80 -35.93 145.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.401 ' CG2' ' HA ' ' A' ' 121' ' ' PHE . 21.6 t -130.26 87.02 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 1.5 p90 -124.02 33.52 5.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 m -102.99 150.18 23.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.4 t -88.98 150.63 22.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.113 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.98 146.7 30.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.12 -32.08 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 t -83.13 -40.12 20.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m 55.83 25.02 7.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -113.88 113.69 25.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -64.57 141.68 58.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.1 mt -51.57 176.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 25' ' ' HIS . 7.3 m -110.89 150.86 28.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.09 -25.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' SER . 51.6 t60 -72.51 -56.33 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -67.19 -54.02 24.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -45.51 -40.69 8.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.0 mt -81.24 -46.75 14.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.36 -35.97 41.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.514 ' CD2' ' HD2' ' A' ' 119' ' ' LYS . 18.0 t90 -62.99 -41.06 99.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.427 ' CG1' ' HG ' ' A' ' 37' ' ' LEU . 66.4 t -78.4 -39.53 24.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -65.22 -12.38 50.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -112.84 -38.49 4.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.7 m -53.94 -58.55 6.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.488 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 2.8 mt -116.1 16.93 15.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 62.59 53.2 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.488 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 3.2 mm? -83.07 165.1 19.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -127.93 38.82 3.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -85.86 128.38 34.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 42.2 p -102.42 -3.39 27.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.137 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -145.76 130.59 18.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.546 HG13 ' CE1' ' A' ' 112' ' ' PHE . 7.3 mm -48.48 -39.81 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.22 -41.42 62.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' CYS . 10.4 mm100 -46.36 -50.18 16.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.4 mt -40.0 -27.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 47' ' ' SER . 27.7 p -39.3 -40.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' CYS . 20.4 t -34.3 -49.61 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 103.71 -48.43 1.01 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -34.22 -45.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.344 . . . . 0.0 111.076 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.08 -64.27 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -46.6 -36.3 6.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.2 m -64.92 -58.83 5.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -51.6 -25.36 6.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -69.26 -45.91 68.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 29.0 mmm -48.64 -37.81 19.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -68.07 -41.57 81.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 8.4 tpp -59.14 -53.49 57.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.557 HD22 ' CD2' ' A' ' 122' ' ' PHE . 9.9 mt -75.18 -66.96 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.517 ' CG ' ' HE3' ' A' ' 92' ' ' MET . 2.7 m-85 -104.09 95.82 8.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.684 0.754 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 142.77 48.92 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.97 23.25 78.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.528 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.4 m -113.01 -27.97 7.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 0.0 110.88 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.9 p -121.73 152.27 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -109.59 97.04 6.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.458 HD11 ' N ' ' A' ' 65' ' ' LEU . 3.3 mp -66.19 -35.86 81.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -49.43 -42.68 43.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.824 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -79.08 -14.0 59.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.6 t -80.55 143.49 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.567 ' HD2' ' CD2' ' A' ' 80' ' ' HIS . 3.4 mtpm? -108.51 105.27 14.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -73.4 -41.96 62.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.463 HE22 ' NE ' ' A' ' 137' ' ' ARG . 22.5 mp0 -82.29 39.75 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.17 127.37 32.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 73' ' ' LYS . 7.2 tmtm? -126.73 -36.06 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.6 mt -78.53 161.79 26.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.435 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 34.4 tt0 -62.56 -63.11 1.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.4 ' NE2' ' HG3' ' A' ' 77' ' ' GLU . 5.4 p80 -45.8 -39.01 7.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.4 ' HG3' ' NE2' ' A' ' 76' ' ' HIS . 48.1 mt-10 -57.66 -38.76 75.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.4 m-85 -59.64 -39.59 84.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 82' ' ' PHE . 3.5 mp -67.08 -55.34 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.567 ' CD2' ' HD2' ' A' ' 69' ' ' LYS . 80.9 t60 -40.12 -51.09 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.98 -36.23 67.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.466 ' CG ' HG22 ' A' ' 100' ' ' VAL . 15.5 m-85 -77.31 -33.88 55.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -52.01 -60.17 3.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.1 p -61.9 -32.84 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.7 tp -65.16 -41.45 94.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -52.47 -37.33 56.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.04 -40.69 94.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.36 -34.16 74.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -65.77 -54.14 31.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 91' ' ' LYS . 66.5 mmtt -66.54 -44.39 82.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 90' ' ' LYS . 25.4 mttp -33.53 -57.84 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.517 ' HE3' ' CG ' ' A' ' 59' ' ' PHE . 5.4 ptm -76.89 -46.71 23.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.92 37.93 0.34 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.1 t -73.19 123.45 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.354 . . . . 0.0 111.144 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -90.89 36.98 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -123.92 111.36 15.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 82.3 mt -68.37 145.76 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 69.7 mt -105.39 101.07 29.29 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.727 . . . . 0.0 111.184 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 79.73 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.732 2.288 . . . . 0.0 112.312 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.466 HG22 ' CG ' ' A' ' 82' ' ' PHE . 97.2 t -70.75 -53.73 20.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -49.59 -29.84 7.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -95.48 -35.48 11.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.6 mt -63.99 -52.35 59.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.477 HG21 ' N ' ' A' ' 105' ' ' LYS . 26.2 m -51.43 -28.47 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.477 ' N ' HG21 ' A' ' 104' ' ' VAL . 10.9 mmpt? -56.89 -28.99 62.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 78.37 32.93 41.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.458 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 109' ' ' GLN . 60.6 mmtt -76.06 103.33 6.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.333 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.539 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 3.0 t80 -37.48 -32.75 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 107' ' ' LYS . 5.8 tp60 -75.51 -70.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -47.06 -21.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -81.94 -42.88 18.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.546 ' CE1' HG13 ' A' ' 42' ' ' ILE . 1.9 m-85 -53.2 -47.75 68.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -55.46 -48.55 74.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -60.06 -70.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 9.6 tp -51.13 -35.81 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.495 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 4.0 tp-100 -57.55 -57.29 13.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.476 ' HA ' ' CD ' ' A' ' 120' ' ' LYS . 18.3 t90 -71.8 -21.91 61.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -64.98 -31.09 72.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.514 ' HD2' ' CD2' ' A' ' 30' ' ' TRP . 17.5 tptm -71.45 -55.86 7.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.476 ' CD ' ' HA ' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -59.7 -39.84 85.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.917 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.401 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 19.0 t80 -68.9 -32.99 73.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.557 ' CD2' HD22 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -70.02 -36.26 74.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -76.02 -37.74 58.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -55.19 -33.68 63.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.092 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -98.02 -47.95 5.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -41.29 144.46 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -130.48 -44.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 143.47 72.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.81 145.7 49.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -80.3 132.24 35.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -137.74 140.07 40.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.417 ' ND2' HD11 ' A' ' 135' ' ' LEU . 3.8 m120 -106.59 97.58 17.42 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.57 0.7 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -24.02 30.4 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.691 2.26 . . . . 0.0 112.358 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 12.1 mt -77.12 -53.54 7.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.417 HD11 ' ND2' ' A' ' 132' ' ' ASN . 41.9 mt -52.99 -41.8 64.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -39.1 -38.64 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.463 ' NE ' HE22 ' A' ' 71' ' ' GLN . 21.6 mmm180 -96.23 -46.4 6.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 137' ' ' ARG . 19.5 mm-40 -34.2 146.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -150.94 -38.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.454 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.483 ' H ' ' NE2' ' A' ' 140' ' ' GLN . 0.4 OUTLIER -149.28 143.05 25.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 -179.869 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.83 -43.43 54.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.9 t -37.7 -54.46 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -42.38 131.84 2.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.645 0.735 . . . . 0.0 111.087 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 144.68 54.89 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.341 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 163.32 38.74 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.295 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 174.03 10.05 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -113.15 142.15 26.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.627 0.727 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -0.46 6.9 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.643 2.229 . . . . 0.0 112.393 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 114.95 -74.39 0.25 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -65.89 122.48 17.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 110.945 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -96.47 145.13 25.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 4.4 mp -76.83 112.04 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -69.3 139.39 54.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 94.0 p -137.52 134.21 35.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -82.35 -157.35 21.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -33.95 15.65 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.6 m -137.54 162.45 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 17.3 m -105.36 120.96 42.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.539 -0.225 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 m -98.45 -65.44 0.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.37 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 p -76.71 139.0 40.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.56 46.09 3.44 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.515 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -86.68 67.74 9.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 110.84 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.7 m -62.61 100.63 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.62 128.68 1.56 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.536 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.446 ' O ' ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -111.89 157.44 20.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.911 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.15 109.18 19.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.6 t -90.01 106.75 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -54.1 139.14 35.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -122.79 112.04 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -118.46 79.06 1.33 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.1 p -146.66 168.47 21.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.1 t -138.41 165.57 26.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.2 m -67.28 109.51 3.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.6 m -123.81 -174.69 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.1 p 51.2 36.02 14.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m 56.1 25.04 8.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -108.95 118.25 36.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -158.67 136.2 10.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.1 mt -88.07 160.64 17.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -130.25 178.58 6.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.407 ' HA ' ' CG1' ' A' ' 42' ' ' ILE . 13.3 ptt180 -43.0 -43.76 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -63.89 -70.83 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 29' ' ' ALA . 74.2 m-20 -45.49 -66.43 0.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.6 mtp -41.57 -54.99 3.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.497 ' O ' ' ND2' ' A' ' 32' ' ' ASN . 42.7 mt -56.46 -29.77 62.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -71.76 -41.2 68.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.061 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.563 ' CE3' ' HG2' ' A' ' 119' ' ' LYS . 16.7 t90 -62.21 -51.19 68.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.4 t -68.56 -32.57 55.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.157 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 28' ' ' LEU . 77.4 m-20 -70.47 -15.98 62.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -109.63 -23.51 11.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -67.03 -66.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.535 HD13 ' CD2' ' A' ' 54' ' ' PHE . 0.9 OUTLIER -107.84 19.09 20.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 62.65 54.93 2.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.48 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 1.3 mm? -89.05 161.74 16.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -131.14 43.75 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -82.02 121.98 27.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.5 t -88.15 -12.4 44.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.189 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -148.04 140.82 24.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.453 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 4.6 mm -51.0 -47.38 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -44.18 -37.17 3.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' CYS . 10.8 mm100 -50.19 -49.06 53.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.9 mt -41.94 -23.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' GLN . 23.0 p -47.59 -38.41 14.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' CYS . 68.5 p -34.18 -47.9 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.7 -37.29 3.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.454 ' HA ' ' CG1' ' A' ' 68' ' ' VAL . . . -44.61 -50.8 9.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.762 0.315 . . . . 0.0 111.075 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.7 -66.1 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.07 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -42.63 -33.46 0.72 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 36.9 m -71.46 -50.64 29.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -54.85 -25.31 27.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.535 ' CD2' HD13 ' A' ' 35' ' ' LEU . 11.8 m-85 -70.73 -48.89 52.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 69.3 mmm -50.81 -35.79 34.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -66.51 -48.1 70.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.4 ttm -57.55 -59.36 5.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.9 mt -64.92 -62.31 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.569 ' CZ ' ' HE1' ' A' ' 92' ' ' MET . 2.1 m-85 -107.96 96.43 17.65 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.679 0.752 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 144.11 53.02 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.244 . . . . 0.0 112.339 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.86 28.63 72.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 23.0 m -116.88 -26.56 6.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.5 p -123.22 148.97 26.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.433 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 1.8 t60 -104.32 93.81 5.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mp -67.81 -27.94 67.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.433 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -56.43 -39.61 73.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.499 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 10.6 mtpt -83.32 -13.33 55.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.454 ' CG1' ' HA ' ' A' ' 49' ' ' ALA . 66.8 t -79.39 134.33 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -88.24 107.44 18.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -80.41 -24.95 39.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -109.94 36.27 3.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.44 130.03 34.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 pttm -127.16 -36.61 2.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.3 mt -87.43 169.74 11.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.571 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 34.7 tt0 -68.53 -53.66 21.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -54.25 -28.9 44.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -70.43 -23.98 62.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.571 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 20.8 m-85 -72.47 -31.0 65.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -83.06 -37.47 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.499 ' CD2' ' O ' ' A' ' 67' ' ' LYS . 77.1 t60 -46.72 -62.25 1.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -53.35 -33.58 54.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -72.85 -34.17 66.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -56.37 -69.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.1 p -52.35 -36.13 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.4 tp -60.94 -46.2 91.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.414 ' NE2' ' HB ' ' A' ' 98' ' ' ILE . 12.3 mm-40 -51.05 -36.52 40.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.12 -44.78 96.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.78 -35.05 68.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.066 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.22 -56.23 24.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 91' ' ' LYS . 0.6 OUTLIER -66.81 -40.02 87.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 90' ' ' LYS . 4.6 mtpm? -35.2 -50.55 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.569 ' HE1' ' CZ ' ' A' ' 59' ' ' PHE . 4.7 ptm -88.15 -46.09 9.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 134.81 47.07 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 38.4 t -91.35 114.44 28.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 111.159 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.26 29.53 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.449 ' HG3' ' CH2' ' A' ' 117' ' ' TRP . 6.5 tmtt? -106.13 105.12 15.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.8 mm -66.37 131.32 32.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.414 ' HB ' ' NE2' ' A' ' 86' ' ' GLN . 80.2 mt -93.11 107.09 22.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.738 . . . . 0.0 111.15 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 98' ' ' ILE . 53.5 Cg_endo -69.74 82.54 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 102' ' ' LYS . 25.7 t -74.62 -62.87 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -40.64 -25.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 100' ' ' VAL . 19.8 mttt -97.92 -50.52 4.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.0 mt -52.61 -48.73 66.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.1 m -52.97 -37.36 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -53.37 -23.58 9.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.17 36.46 60.17 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 109' ' ' GLN . 6.4 mmmm -78.15 101.01 6.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.515 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 2.5 t80 -35.27 -31.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 107' ' ' LYS . 2.9 tm0? -76.64 -72.55 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.33 -22.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 109' ' ' GLN . 2.7 m-80 -81.58 -47.91 12.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.515 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 2.8 m-85 -48.73 -49.17 39.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -56.72 -44.71 81.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -60.77 -70.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 8.8 tp -51.9 -38.67 23.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.449 ' CG ' ' O ' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -46.72 -50.35 18.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.449 ' CH2' ' HG3' ' A' ' 96' ' ' LYS . 11.2 t90 -81.62 -39.64 24.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -47.27 -41.94 19.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.563 ' HG2' ' CE3' ' A' ' 30' ' ' TRP . 1.8 tmtt? -55.41 -40.52 71.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -71.87 -44.89 63.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -51.55 -28.71 14.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.586 ' CE1' ' CD2' ' A' ' 126' ' ' TYR . 5.1 t80 -73.24 -43.44 61.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -75.13 -25.99 58.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.45 -32.43 73.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -108.27 -48.13 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.586 ' CD2' ' CE1' ' A' ' 122' ' ' PHE . 19.2 t80 -54.32 101.62 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -86.21 -44.79 11.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 162.31 50.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.28 147.63 31.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -88.05 144.95 26.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -143.32 155.28 44.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.467 ' CB ' HD13 ' A' ' 135' ' ' LEU . 4.6 m120 -115.93 95.19 43.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.71 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -16.79 37.67 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.702 2.268 . . . . 0.0 112.289 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 20.9 mt -84.71 -51.15 7.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.467 HD13 ' CB ' ' A' ' 132' ' ' ASN . 72.0 mt -53.87 -44.48 70.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -42.35 -41.05 2.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.082 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.94 -40.87 12.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -38.6 110.67 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -166.87 -56.56 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 142' ' ' VAL . 0.6 OUTLIER -97.06 63.77 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.765 0.317 . . . . 0.0 110.889 -179.865 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -41.0 -24.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 140' ' ' GLN . 97.6 t -47.38 -60.31 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.92 139.72 90.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.579 0.704 . . . . 0.0 111.126 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 168.43 21.63 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.685 2.256 . . . . 0.0 112.321 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 146.79 61.37 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.325 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 158.82 55.64 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.26 . . . . 0.0 112.309 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -174.2 136.55 0.63 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.586 0.708 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 81.74 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.662 2.241 . . . . 0.0 112.391 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -52.01 -81.57 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.34 155.18 7.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.751 0.31 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -152.54 133.61 14.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 57.9 mt -142.84 117.88 4.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -159.31 166.19 31.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 40.5 m 54.95 42.46 31.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -153.92 140.34 7.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.455 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 167.92 23.03 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.698 2.265 . . . . 0.0 112.319 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 41.3 p -139.21 171.24 14.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 90.8 p -163.93 166.86 21.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.518 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.0 m -105.14 134.01 48.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.852 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -132.57 130.74 40.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.62 102.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 t -47.06 155.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.7 p -127.78 179.6 5.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.35 138.9 6.67 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.482 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.0 mmt -116.91 163.14 16.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.339 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.02 165.5 21.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 11' ' ' ASN . 76.9 t -130.18 85.88 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.555 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 2.0 m-80 -34.35 108.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.8 t -74.43 98.38 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 11' ' ' ASN . 22.0 m-85 -131.01 50.96 2.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.6 m -154.59 174.11 15.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.3 p -103.16 65.68 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.123 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.2 m -94.55 48.36 1.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.47 167.49 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -126.06 -11.33 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.3 t -128.86 142.6 50.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -42.14 -63.13 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -167.42 131.23 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.31 164.23 7.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 24' ' ' ARG . 6.3 m -118.47 160.63 21.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 23' ' ' SER . 20.7 ptt180 -36.73 -49.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 26' ' ' ASP . 22.3 t60 -59.34 -69.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' HIS . 5.9 m-20 -37.13 -63.54 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' TRP . 5.0 mtp -48.44 -66.35 0.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.444 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 23.8 mt -43.45 -31.19 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.88 -36.06 59.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.108 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.546 ' CE3' HG23 ' A' ' 31' ' ' VAL . 3.1 t90 -67.47 -51.48 50.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.546 HG23 ' CE3' ' A' ' 30' ' ' TRP . 89.4 t -67.94 -34.61 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.444 ' CG ' ' O ' ' A' ' 28' ' ' LEU . 79.6 m-20 -64.39 -22.53 66.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -105.35 -17.93 14.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.1 m -72.77 -65.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.545 HD12 ' CD2' ' A' ' 54' ' ' PHE . 3.2 mt -105.61 16.51 25.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 63.41 55.03 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.499 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 1.1 mm? -90.96 161.27 15.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -129.39 43.22 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -84.7 129.94 34.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.5 t -95.91 -5.93 40.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.162 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -155.25 140.18 17.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.507 HG13 ' CE1' ' A' ' 112' ' ' PHE . 4.9 mm -49.34 -47.66 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -42.97 -38.22 2.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' CYS . 12.8 mm100 -51.17 -47.94 62.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 46' ' ' CYS . 14.4 mt -39.67 -27.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' GLN . 29.0 p -37.56 -38.73 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.438 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 5.0 t -38.57 -46.51 1.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 94.82 -42.61 2.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.21 -42.03 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.771 0.32 . . . . 0.0 111.061 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.71 -53.76 54.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -51.46 -35.81 41.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 46.3 m -64.57 -55.57 19.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -52.41 -28.97 22.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.915 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.545 ' CD2' HD12 ' A' ' 35' ' ' LEU . 9.3 m-85 -67.46 -33.88 76.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 84.0 mmm -68.13 -29.81 68.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -79.47 -38.66 34.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.1 ptm -68.22 -38.82 82.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.473 HD22 ' CD2' ' A' ' 122' ' ' PHE . 21.8 mt -84.13 -60.59 2.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.518 ' CG ' ' HE2' ' A' ' 92' ' ' MET . 0.2 OUTLIER -113.32 98.75 47.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.662 0.744 . . . . 0.0 110.911 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 143.77 51.95 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.369 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.63 24.49 76.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.513 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.7 m -115.5 -34.84 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.3 p -119.03 151.06 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -111.03 98.52 7.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.1 mp -66.54 -27.85 68.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -42.87 65.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.14 -13.31 59.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.6 t -81.65 143.62 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.169 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -107.8 107.31 18.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -76.15 -37.94 57.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -86.35 33.48 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.59 131.11 46.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.79 -32.94 1.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 76.4 mt -80.5 168.42 18.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -70.41 -57.38 4.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -53.41 -32.61 50.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -61.84 -36.37 81.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.438 ' CD1' ' HA ' ' A' ' 47' ' ' SER . 24.0 m-85 -63.99 -37.64 88.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.42 HG13 ' CG1' ' A' ' 100' ' ' VAL . 3.5 mp -69.47 -49.37 60.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -46.88 -54.41 10.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.96 -32.92 48.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.512 ' CG ' HG21 ' A' ' 100' ' ' VAL . 12.4 m-85 -74.96 -41.59 59.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -44.91 -63.69 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.2 p -56.68 -39.06 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 22.1 tp -58.59 -43.09 89.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -55.05 -38.14 67.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.64 -43.95 85.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.81 -35.44 72.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -62.31 -56.85 14.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 91' ' ' LYS . 43.6 mmtm -64.25 -42.24 96.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 90' ' ' LYS . 9.2 mtpp -37.58 -45.67 0.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.518 ' HE2' ' CG ' ' A' ' 59' ' ' PHE . 10.7 ptp -89.01 -48.05 7.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.406 ' N ' ' HG3' ' A' ' 92' ' ' MET . . . 134.67 30.78 0.37 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.5 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.429 ' CG2' ' SD ' ' A' ' 92' ' ' MET . 62.1 t -71.94 117.07 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.119 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -87.79 27.28 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.41 ' CD ' ' C ' ' A' ' 96' ' ' LYS . 4.0 tmtm? -108.74 107.42 17.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.41 HG23 ' N ' ' A' ' 98' ' ' ILE . 5.0 mp -69.0 140.13 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.41 ' N ' HG23 ' A' ' 97' ' ' ILE . 70.5 mt -99.54 107.29 44.71 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.618 0.723 . . . . 0.0 111.111 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 78.91 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.712 2.275 . . . . 0.0 112.31 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.512 HG21 ' CG ' ' A' ' 82' ' ' PHE . 32.4 t -66.61 -71.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 100' ' ' VAL . 2.3 mm-40 -31.11 -37.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 100' ' ' VAL . 16.7 mmtt -83.66 -60.35 2.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.3 mt -42.74 -53.96 4.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.8 m -43.53 -45.98 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.87 -38.17 34.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.54 27.9 18.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 109' ' ' GLN . 8.3 mtpm? -64.29 102.08 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.834 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.497 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 3.3 t80 -37.76 -28.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 107' ' ' LYS . 6.6 tp60 -80.83 -70.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -46.36 -20.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 109' ' ' GLN . 3.4 m-80 -83.95 -40.68 18.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.507 ' CE1' HG13 ' A' ' 42' ' ' ILE . 3.4 m-85 -55.58 -47.85 75.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -55.22 -42.5 73.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -66.1 -69.02 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 116' ' ' GLN . 9.0 tp -53.5 -30.09 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.487 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 6.5 tp60 -60.15 -50.65 72.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.481 ' HA ' ' CD ' ' A' ' 120' ' ' LYS . 3.6 t90 -84.4 -14.91 48.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -68.14 -31.42 70.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.519 ' HD2' ' CE2' ' A' ' 30' ' ' TRP . 16.8 tptp -70.56 -58.05 4.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.481 ' CD ' ' HA ' ' A' ' 117' ' ' TRP . 4.3 ptmt -54.35 -41.86 69.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -67.08 -33.57 75.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.473 ' CD2' HD22 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -64.21 -42.83 96.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -75.47 -30.77 60.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.811 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.19 -23.19 62.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -114.52 -45.65 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.508 ' CE2' ' HA2' ' A' ' 128' ' ' GLY . 61.6 t80 -44.11 107.45 0.09 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -78.23 -45.11 23.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.508 ' HA2' ' CE2' ' A' ' 126' ' ' TYR . . . 139.57 49.38 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.33 132.86 54.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.762 0.315 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -66.69 126.85 30.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -123.48 128.41 49.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -94.44 105.39 17.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.56 0.695 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -28.83 24.53 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.691 2.261 . . . . 0.0 112.341 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.46 -54.37 7.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 85.2 mt -42.0 -39.01 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -47.05 -41.54 16.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 138' ' ' GLN . 10.7 mtp-105 -90.39 -42.82 10.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 137' ' ' ARG . 40.0 mm-40 -34.2 130.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -167.32 -54.38 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.451 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.557 ' H ' ' NE2' ' A' ' 140' ' ' GLN . 0.0 OUTLIER -101.11 169.76 8.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.884 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -95.22 -34.28 12.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.3 t -40.58 -66.3 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -43.33 135.73 3.19 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.546 0.688 . . . . 0.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 144.5 54.15 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.705 2.27 . . . . 0.0 112.328 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 164.5 34.35 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 178.94 4.04 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.695 2.263 . . . . 0.0 112.372 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -152.19 132.19 7.18 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.721 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 -161.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.689 2.259 . . . . 0.0 112.374 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 110.87 93.91 2.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -144.69 164.45 30.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.776 0.322 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.44 164.36 18.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.958 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 3.1 tp -98.16 129.77 47.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -149.55 137.99 20.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.5 t -170.6 105.14 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -97.13 173.39 28.95 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 140.28 42.21 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.271 . . . . 0.0 112.356 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.2 m -164.69 131.3 2.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.3 t -141.75 120.12 12.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -113.7 117.73 32.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.884 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 m -134.04 145.48 49.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.88 -98.15 0.55 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -60.46 138.92 57.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.858 0.361 . . . . 0.0 110.839 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 t -72.56 157.27 37.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.35 104.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.423 ' CA ' ' HE1' ' A' ' 92' ' ' MET . 0.0 OUTLIER -126.71 175.03 8.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 0.0 110.848 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.409 ' N ' ' SD ' ' A' ' 92' ' ' MET . . . -102.93 160.04 14.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.0 t -123.69 90.69 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -38.12 119.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.455 ' CG1' ' HG3' ' A' ' 120' ' ' LYS . 6.3 t -95.2 109.22 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -122.37 75.69 1.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.3 p -165.08 154.6 12.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.7 t -96.84 148.55 22.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.112 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.3 t -51.16 143.68 10.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 18' ' ' THR . 8.1 p -70.13 139.83 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 17' ' ' VAL . 24.4 p 35.4 38.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.9 t -174.52 174.46 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -106.14 -46.66 4.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.455 ' HB2' ' NE2' ' A' ' 116' ' ' GLN . 4.2 p-10 -173.75 150.35 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.8 mt -54.13 -175.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 24' ' ' ARG . 2.4 m -124.09 162.14 24.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 23' ' ' SER . 18.2 mtm-85 -33.18 -68.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -39.52 -70.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 29' ' ' ALA . 5.8 m-20 -48.37 -63.52 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 26' ' ' ASP . 2.9 mmt -35.43 -43.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.3 mt -79.33 -36.27 39.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -61.7 -40.0 93.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.504 ' CD2' ' HD2' ' A' ' 119' ' ' LYS . 16.7 t90 -56.13 -55.15 36.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.4 t -70.86 -38.0 70.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -63.09 -11.66 21.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -115.26 -34.09 5.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.0 m -54.81 -64.96 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.487 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 3.0 mt -107.13 17.02 23.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 64.46 50.91 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.487 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 3.0 mm? -84.64 163.7 19.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -128.79 39.44 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.449 ' CD1' ' HB3' ' A' ' 44' ' ' GLN . 24.2 m-85 -82.43 118.96 23.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 66.7 p -89.17 -11.3 44.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.128 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -140.49 133.24 28.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.561 HG13 ' CE1' ' A' ' 112' ' ' PHE . 20.7 mm -48.19 -39.41 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -51.58 -37.38 49.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 46' ' ' CYS . 20.3 mm-40 -46.31 -51.06 15.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.435 ' CD1' HD12 ' A' ' 115' ' ' ILE . 23.8 mt -39.01 -26.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 44' ' ' GLN . 28.5 p -41.8 -40.15 1.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' CYS . 26.2 m -33.98 -44.07 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.787 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 99.86 -51.95 1.04 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -34.07 -60.09 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.826 0.346 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.37 -59.21 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -49.55 -43.2 45.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.7 m -64.22 -52.84 56.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.427 ' OE1' ' CE1' ' A' ' 131' ' ' TYR . 0.6 OUTLIER -53.36 -27.23 22.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -69.59 -46.37 66.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 43.3 mmm -46.17 -38.81 8.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.11 -39.5 75.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.836 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.2 tpp -55.2 -50.13 70.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.455 ' CD2' ' HB2' ' A' ' 126' ' ' TYR . 41.1 mt -82.51 -62.91 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.525 ' CD2' ' HE3' ' A' ' 92' ' ' MET . 1.5 m-85 -102.68 96.83 8.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.731 . . . . 0.0 110.874 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 142.44 47.97 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.669 2.246 . . . . 0.0 112.389 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.77 26.5 73.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.456 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.0 m -111.63 -37.41 5.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.839 0.352 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.4 p -112.91 146.6 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -99.96 93.32 5.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 65' ' ' LEU . 2.0 mp -62.31 -38.44 89.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.83 -45.58 7.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -75.68 -25.18 56.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 92.9 t -66.65 133.31 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.544 ' HE2' ' CD2' ' A' ' 80' ' ' HIS . 35.1 mttm -100.75 105.59 16.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.541 ' CD2' ' HG3' ' A' ' 137' ' ' ARG . 3.6 m-85 -73.88 -46.37 45.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -81.98 40.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.44 125.46 26.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.098 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.8 tttm -123.79 -37.78 2.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.8 mt -77.97 163.76 25.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -63.87 -63.04 1.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -47.92 -37.07 13.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -55.83 -40.96 73.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -60.51 -40.23 90.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 82' ' ' PHE . 3.5 mp -67.06 -53.28 35.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.544 ' CD2' ' HE2' ' A' ' 69' ' ' LYS . 39.9 t60 -39.72 -49.68 2.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.56 -33.15 73.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.488 ' CG ' HG21 ' A' ' 100' ' ' VAL . 12.8 m-85 -74.58 -36.9 63.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -53.0 -59.74 4.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.1 p -58.16 -36.15 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.5 tp -60.43 -48.67 80.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.439 ' NE2' ' HB ' ' A' ' 98' ' ' ILE . 11.3 mm-40 -45.95 -40.14 9.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.05 77.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.36 87.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.471 ' CG ' HD13 ' A' ' 98' ' ' ILE . 3.4 m-85 -65.24 -41.55 94.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 91' ' ' LYS . 26.1 mmtp -75.62 -39.12 58.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 90' ' ' LYS . 14.4 mtpt -34.24 -37.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.525 ' HE3' ' CD2' ' A' ' 59' ' ' PHE . 15.3 ptp -105.32 -46.74 4.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.92 24.25 0.81 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.6 t -52.89 113.67 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 0.0 111.168 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -83.44 35.04 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.454 ' HG3' ' CZ3' ' A' ' 117' ' ' TRP . 2.5 tmtm? -113.63 86.23 2.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 98' ' ' ILE . 28.2 mm -47.15 135.7 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.099 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.471 HD13 ' CG ' ' A' ' 89' ' ' PHE . 67.4 mt -101.07 98.53 8.85 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.632 0.73 . . . . 0.0 111.11 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 81.68 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.36 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.488 HG21 ' CG ' ' A' ' 82' ' ' PHE . 65.7 t -72.07 -56.96 8.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -41.83 -24.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 100' ' ' VAL . 18.1 mttt -101.27 -53.98 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 28.2 mt -46.54 -44.8 18.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.5 m -60.28 -36.3 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -42.91 -33.21 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.26 31.5 19.5 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -77.57 -177.57 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.547 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 2.0 t80 -113.64 -33.85 5.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -69.23 -70.82 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.29 -23.3 1.34 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -79.99 -33.86 39.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.561 ' CE1' HG13 ' A' ' 42' ' ' ILE . 2.2 m-85 -63.35 -48.15 79.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -56.77 -56.34 22.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -49.42 -70.99 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.435 HD12 ' CD1' ' A' ' 45' ' ' LEU . 8.2 tp -52.51 -41.73 37.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.152 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 4.8 tp-100 -49.56 -54.8 16.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.454 ' CZ3' ' HG3' ' A' ' 96' ' ' LYS . 16.6 t90 -68.48 -47.44 67.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -47.37 -20.3 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.504 ' HD2' ' CD2' ' A' ' 30' ' ' TRP . 22.2 tptp -62.79 -61.78 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.455 ' HG3' ' CG1' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -69.84 -32.53 70.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.861 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -60.68 -29.37 69.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.438 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 0.5 OUTLIER -74.57 -49.02 23.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.404 ' N ' ' CD1' ' A' ' 122' ' ' PHE . 24.1 m-20 -66.64 -37.13 84.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.35 -40.81 50.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -94.23 -45.52 7.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.455 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 33.4 t80 -51.99 145.67 9.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -134.49 -49.68 0.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 167.34 51.92 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.521 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.74 110.11 19.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.759 0.314 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -54.1 151.85 6.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.863 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.427 ' CE1' ' OE1' ' A' ' 53' ' ' GLN . 58.2 t80 -155.18 127.76 7.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.459 ' ND2' ' HG ' ' A' ' 135' ' ' LEU . 0.1 OUTLIER -96.35 105.2 20.82 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.651 0.738 . . . . 0.0 110.892 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -29.77 23.21 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.673 2.249 . . . . 0.0 112.381 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 48.2 mt -66.6 -55.24 16.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.459 ' HG ' ' ND2' ' A' ' 132' ' ' ASN . 29.9 mt -52.62 -36.08 55.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -44.04 -45.25 7.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.06 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.541 ' HG3' ' CD2' ' A' ' 70' ' ' PHE . 27.0 mmm180 -118.93 47.29 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -103.38 157.49 16.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 162.85 -72.42 0.2 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.535 ' H ' ' NE2' ' A' ' 140' ' ' GLN . 0.2 OUTLIER -75.9 157.51 33.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.769 0.319 . . . . 0.0 110.931 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -90.21 -45.47 9.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 143' ' ' ALA . 92.7 t -40.13 -41.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 142' ' ' VAL . . . -34.97 137.53 0.38 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.586 0.708 . . . . 0.0 111.074 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 124.6 11.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.327 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 169.58 18.56 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.377 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 150.76 68.67 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.682 2.255 . . . . 0.0 112.329 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -110.2 118.68 48.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.719 . . . . 0.0 110.948 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' A' ' 150' ' ' ASP . 54.2 Cg_endo -69.71 6.71 1.19 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.691 2.261 . . . . 0.0 112.368 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -57.5 80.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 148' ' ' PRO . 24.0 t70 -132.58 149.94 52.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.757 0.313 . . . . 0.0 110.853 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.407 ' HG2' ' C ' ' A' ' 150' ' ' ASP . 18.9 pt20 38.2 32.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 153' ' ' PHE . 2.9 tp -93.14 142.12 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.454 ' N ' HG13 ' A' ' 152' ' ' ILE . 56.9 t80 -34.82 -48.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 13.3 t -55.35 134.98 50.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.795 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 126.64 -153.46 18.8 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 131.52 21.36 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.649 2.233 . . . . 0.0 112.331 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 71.1 m -82.32 85.81 6.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 60.6 p -98.29 173.15 7.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.7 p -105.6 168.24 9.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.354 . . . . 0.0 110.881 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -120.19 135.63 54.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.68 41.19 0.23 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 m -162.52 135.16 5.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.888 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 m -136.93 145.32 44.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.416 ' C ' ' HE2' ' A' ' 92' ' ' MET . . . 87.93 75.13 1.28 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.508 ' O ' ' CE1' ' A' ' 59' ' ' PHE . 4.0 ptp -145.26 161.73 38.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.6 151.94 23.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.076 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.1 t -118.43 96.09 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -42.73 105.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.9 t -91.2 117.95 35.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -129.32 52.12 2.0 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.402 ' C ' HG22 ' A' ' 15' ' ' THR . 62.2 m -162.27 -179.81 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.402 HG22 ' C ' ' A' ' 14' ' ' SER . 68.4 p -140.85 137.67 33.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.3 m -130.4 83.01 2.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 p -170.96 140.73 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.095 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 19' ' ' SER . 68.4 p -37.58 -73.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.414 ' N ' ' OG1' ' A' ' 18' ' ' THR . 1.6 t -70.15 165.38 22.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.836 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -44.74 -33.76 2.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -168.03 159.84 11.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.5 mt -58.91 160.6 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.9 m -104.68 177.37 4.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 -50.08 -48.25 53.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -53.1 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.18 -51.88 23.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.1 mmt -46.64 -50.52 17.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.5 mt -72.16 -31.4 65.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.13 88.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 34.8 t90 -55.08 -34.61 63.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.5 t -85.78 -38.32 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 -70.79 -6.21 36.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.23 -23.96 9.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.1 m -74.61 -62.35 1.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.664 ' C ' ' CD2' ' A' ' 36' ' ' HIS . 0.7 OUTLIER -113.35 36.65 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.664 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 6.5 p80 42.13 55.02 4.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.498 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 1.2 mm? -79.2 164.1 24.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -134.05 35.42 3.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.407 ' CE2' HD12 ' A' ' 37' ' ' LEU . 18.1 m-85 -75.42 131.57 40.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.0 m -91.37 -11.82 36.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.166 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -153.71 147.79 25.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.54 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 3.2 mm -52.75 -45.04 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -46.74 -38.5 10.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -50.03 -48.34 52.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.6 mt -41.32 -29.52 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 47' ' ' SER . 31.5 p -38.38 -35.83 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' CYS . 75.6 p -35.18 -42.66 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.22 -43.18 2.4 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -39.6 -51.56 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.309 . . . . 0.0 111.06 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.81 -63.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.087 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -42.55 -41.12 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.2 m -64.17 -53.25 52.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -56.09 -20.27 16.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.942 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -77.51 -44.69 27.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 38.8 mmm -52.41 -42.86 64.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -58.47 -49.46 77.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.517 ' HA ' ' CD2' ' A' ' 131' ' ' TYR . 3.3 ttm -58.18 -57.25 13.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.2 mt -64.04 -63.93 1.02 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.557 ' CD2' ' HE1' ' A' ' 92' ' ' MET . 5.1 m-85 -112.51 96.08 34.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.603 0.716 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 144.3 54.04 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.733 2.289 . . . . 0.0 112.369 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.25 17.38 78.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.543 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.7 t -110.51 -33.05 6.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.3 p -120.94 154.46 24.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.454 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 5.0 t-160 -111.46 105.7 14.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 65' ' ' LEU . 1.9 mp -72.53 -23.96 61.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.454 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 7.8 tpt180 -60.38 -35.99 77.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -84.82 -13.7 50.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.6 t -75.54 137.43 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -105.05 99.87 9.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -74.59 -32.6 62.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -90.62 35.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.92 137.19 55.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -132.39 -33.51 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.4 mt -87.83 166.13 14.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.498 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 38.5 tt0 -63.65 -62.28 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.438 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 6.6 p80 -43.58 -42.41 5.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.438 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 16.3 mt-10 -54.17 -39.96 67.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.498 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 17.3 m-85 -58.81 -40.27 83.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.435 HG13 ' CG1' ' A' ' 100' ' ' VAL . 3.9 mp -69.87 -51.47 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -38.42 -54.2 1.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.4 -41.31 84.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.523 ' CG ' HG22 ' A' ' 100' ' ' VAL . 11.5 m-85 -60.44 -46.52 89.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -44.94 -67.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.6 p -49.14 -37.64 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.4 tp -65.8 -37.07 85.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -55.63 -43.15 75.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.73 -40.99 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.21 -30.25 70.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.493 ' CD2' HG13 ' A' ' 94' ' ' VAL . 4.1 m-85 -70.92 -56.76 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 91' ' ' LYS . 24.4 mmtp -64.12 -41.99 97.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 90' ' ' LYS . 42.7 mttm -37.06 -39.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.557 ' HE1' ' CD2' ' A' ' 59' ' ' PHE . 7.3 ptp -98.75 -42.16 7.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 124.4 22.68 2.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.493 HG13 ' CD2' ' A' ' 89' ' ' PHE . 81.2 t -51.71 117.43 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 111.075 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -83.1 37.67 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.3 tptt -131.89 104.27 6.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 26.4 mm -66.89 143.88 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 72.6 mt -96.6 104.74 19.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 0.0 111.13 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 80.1 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.384 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.523 HG22 ' CG ' ' A' ' 82' ' ' PHE . 84.0 t -72.65 -60.48 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.053 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -37.27 -28.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 100' ' ' VAL . 18.2 mttt -98.53 -55.13 2.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.5 mt -44.45 -50.9 9.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.8 m -50.36 -38.98 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -53.43 -36.87 62.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 88.53 28.27 22.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.493 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 109' ' ' GLN . 42.0 mttp -67.59 103.61 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.54 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 1.8 t80 -38.53 -29.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 107' ' ' LYS . 1.9 tm0? -75.85 -72.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -48.73 -21.3 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -80.13 -40.63 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.523 ' CE1' HG13 ' A' ' 42' ' ' ILE . 3.1 m-85 -58.02 -50.28 73.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -53.6 -46.04 70.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -64.04 -70.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.414 HG21 ' CG2' ' A' ' 42' ' ' ILE . 9.1 tp -50.04 -32.45 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 3.4 tp-100 -60.66 -57.12 14.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 31.8 t90 -68.09 -43.04 79.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -48.11 -24.85 1.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -67.92 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 18.5 pttt -61.02 -22.6 64.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -73.74 -19.45 60.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.478 ' O ' ' CB ' ' A' ' 126' ' ' TYR . 0.3 OUTLIER -85.29 -32.92 22.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -79.3 -34.12 42.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.05 -21.64 66.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -109.63 -48.19 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.478 ' CB ' ' O ' ' A' ' 122' ' ' PHE . 54.0 t80 -49.55 111.42 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.09 -67.93 0.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.441 ' HA2' ' CE1' ' A' ' 126' ' ' TYR . . . 162.42 46.75 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.22 142.76 38.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.15 115.58 13.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.517 ' CD2' ' HA ' ' A' ' 57' ' ' MET . 32.7 t80 -118.97 127.79 53.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.467 ' ND2' HD12 ' A' ' 135' ' ' LEU . 2.8 m120 -97.59 113.78 63.97 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.625 0.726 . . . . 0.0 110.936 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 136' ' ' ALA . 53.8 Cg_endo -69.73 -50.33 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.728 2.285 . . . . 0.0 112.329 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.528 ' CD2' ' CE1' ' A' ' 36' ' ' HIS . 8.9 mt -54.59 -60.83 2.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.467 HD12 ' ND2' ' A' ' 132' ' ' ASN . 69.4 mt -41.59 -23.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 133' ' ' PRO . . . -51.31 -43.43 61.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.9 38.29 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -79.99 157.84 26.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -161.31 -32.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.46 179.76 3.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -121.65 -39.65 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 143' ' ' ALA . 95.6 t -38.63 -43.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 142' ' ' VAL . . . -34.94 135.96 0.41 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.602 0.715 . . . . 0.0 111.072 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 110.33 2.54 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.636 2.224 . . . . 0.0 112.345 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 150.72 68.68 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 2.254 . . . . 0.0 112.35 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 131.85 22.16 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.397 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -113.7 141.96 26.92 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.656 0.741 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' A' ' 150' ' ' ASP . 53.3 Cg_endo -69.78 4.88 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 148' ' ' PRO . . . -31.34 94.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.45 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 148' ' ' PRO . 10.1 m-20 -166.99 123.86 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.312 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -123.81 134.57 53.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 17.7 mm -136.57 131.16 47.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -125.71 165.19 19.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.3 t -130.79 -54.2 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 85.61 -178.8 50.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.445 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 178.15 4.9 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.683 2.256 . . . . 0.0 112.359 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 16.9 m -158.93 133.8 8.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 28.6 p -115.5 153.75 30.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.835 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.521 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.411 -0.276 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -74.67 -49.6 20.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.879 0.371 . . . . 0.0 110.809 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -98.82 164.0 12.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.44 106.13 0.4 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.469 ' HB3' ' CG ' ' A' ' 8' ' ' MET . 1.4 t -109.69 -174.49 2.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.919 0.39 . . . . 0.0 110.832 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 7' ' ' GLY . 9.5 t -95.32 145.56 25.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.839 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.92 77.7 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.513 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.469 ' CG ' ' HB3' ' A' ' 5' ' ' SER . 16.7 mmt -119.25 160.86 21.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.442 ' CB ' ' SD ' ' A' ' 92' ' ' MET . . . -90.52 115.12 27.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' ASN . 68.7 t -81.24 93.01 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.554 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 10.6 m120 -33.84 112.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.38 98.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.554 ' CE1' ' HB3' ' A' ' 11' ' ' ASN . 6.2 m-85 -124.78 128.45 48.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.5 p -142.21 155.71 45.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.6 t -133.31 -54.34 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.3 m -122.47 34.66 5.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.4 m -141.16 147.6 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.5 t -170.64 142.02 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 20' ' ' GLU . 45.3 p -108.58 154.44 21.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 19' ' ' SER . 29.1 mt-10 -35.08 110.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.521 ' ND2' ' H ' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -74.47 123.39 24.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 26' ' ' ASP . 14.8 mt -77.56 170.91 15.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m -126.11 -76.18 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.0 ptt85 -135.02 -52.71 0.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -60.6 -57.05 14.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.481 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 3.0 m-20 -57.52 -40.69 79.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -47.39 84.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.466 ' HG ' ' CD1' ' A' ' 42' ' ' ILE . 52.6 mt -73.28 -36.14 66.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.75 92.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.086 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.569 ' CD1' ' HE3' ' A' ' 119' ' ' LYS . 21.7 t90 -59.55 -42.22 91.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.3 t -79.0 -39.89 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -62.96 -23.06 67.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -103.49 -32.73 9.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 m -56.43 -68.15 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.546 HD13 ' CE2' ' A' ' 54' ' ' PHE . 3.4 mt -108.26 21.97 16.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 61.77 54.96 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 3.4 mm? -91.23 160.41 15.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -124.55 36.3 4.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -77.57 119.0 20.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.2 t -96.69 -4.1 41.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -140.88 128.17 21.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.564 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 15.5 mm -50.81 -31.23 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.402 ' O ' ' SG ' ' A' ' 46' ' ' CYS . 2.1 pp20? -63.25 -36.51 83.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -48.68 -48.65 39.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 46' ' ' CYS . 13.9 mt -41.09 -32.68 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.487 ' O ' ' C ' ' A' ' 47' ' ' SER . 31.3 p -35.37 -43.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.504 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 10.0 t -30.83 -52.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.19 -40.09 2.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.472 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.32 -39.97 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 0.0 111.073 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.37 -64.76 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -46.08 -39.66 9.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.8 m -61.93 -61.84 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -45.03 -33.01 1.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.546 ' CE2' HD13 ' A' ' 35' ' ' LEU . 8.9 m-85 -65.27 -42.25 93.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 48.0 mmm -54.22 -38.72 66.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -65.34 -46.18 81.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.417 ' HG3' ' CB ' ' A' ' 131' ' ' TYR . 2.0 ttm -60.14 -57.71 11.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.1 mt -63.49 -55.32 24.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.513 ' CG ' ' HE3' ' A' ' 92' ' ' MET . 0.7 OUTLIER -119.63 96.99 49.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.673 0.749 . . . . 0.0 110.883 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 140.47 42.77 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.713 2.276 . . . . 0.0 112.325 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.52 27.46 71.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.2 m -116.08 -36.14 4.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.815 0.34 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.6 p -115.96 150.7 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.498 ' CE1' ' HZ3' ' A' ' 67' ' ' LYS . 2.4 t-160 -105.05 96.75 6.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 68' ' ' VAL . 5.1 mp -65.23 -40.34 93.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -43.35 -43.3 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.498 ' HZ3' ' CE1' ' A' ' 64' ' ' HIS . 12.5 mttp -77.96 -22.86 48.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 65' ' ' LEU . 64.5 t -68.33 135.92 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.44 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 28.7 mttm -99.44 106.81 18.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -77.72 -37.85 48.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -92.71 42.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.17 119.58 12.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -116.85 -39.6 3.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.3 mt -82.71 162.19 21.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 52.1 tt0 -58.3 -62.42 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.437 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.1 p80 -44.01 -41.36 5.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.437 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 23.6 mt-10 -56.46 -36.27 68.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.467 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.9 m-85 -61.7 -40.64 95.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -73.66 -40.75 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.446 ' NE2' ' O ' ' A' ' 67' ' ' LYS . 43.6 t60 -43.26 -67.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 47' ' ' SER . 17.7 p30 -47.3 -39.38 14.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.463 ' CG ' HG23 ' A' ' 100' ' ' VAL . 6.8 m-85 -64.9 -38.67 91.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.5 mttp -50.64 -70.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.7 p -50.55 -38.2 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.9 tp -62.28 -43.48 98.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -51.17 -38.64 53.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.28 -47.04 86.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.26 -38.57 63.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -69.71 -45.81 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -85.26 2.88 42.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.54 -36.65 14.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.513 ' HE3' ' CG ' ' A' ' 59' ' ' PHE . 8.7 ptp -95.29 -41.13 9.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.77 39.25 0.4 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.478 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 97.7 t -76.78 126.41 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 111.193 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -88.4 38.78 0.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.1 tptt -132.28 115.15 15.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 82.7 mt -77.44 146.48 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.15 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 60.7 mt -103.37 97.29 9.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.598 0.713 . . . . 0.0 111.149 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 81.57 0.81 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.645 2.23 . . . . 0.0 112.318 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 102' ' ' LYS . 59.3 t -70.06 -62.79 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 100' ' ' VAL . 3.9 mt-10 -34.47 -32.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 100' ' ' VAL . 15.5 mttm -94.01 -52.94 4.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.441 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 15.2 mt -48.17 -50.46 28.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.4 m -48.35 -29.13 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 51.3 mmtt -63.72 -34.03 76.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.22 30.87 18.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.18 107.97 2.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.808 0.337 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.69 ' CE2' ' CZ ' ' A' ' 112' ' ' PHE . 2.7 t80 -45.59 -29.6 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.27 -74.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.944 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -47.74 -24.82 1.04 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -76.43 -46.26 27.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.69 ' CZ ' ' CE2' ' A' ' 108' ' ' PHE . 2.0 m-85 -49.62 -50.08 44.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.56 -54.6 45.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -46.96 -70.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 5.1 tp -55.43 -43.34 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.457 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 2.9 tp60 -46.14 -41.95 13.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -83.95 -27.44 28.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.54 -20.98 66.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.569 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 7.3 tptm -72.55 -64.87 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -57.97 -37.22 73.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -63.19 -32.37 73.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -67.52 -32.63 73.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -77.23 -36.94 54.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.82 -35.08 68.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.406 ' ND2' ' H ' ' A' ' 10' ' ' VAL . 1.6 m120 -95.63 -49.16 5.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -52.66 123.71 11.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -104.4 -49.19 3.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 157.9 53.22 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -125.01 117.66 24.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.352 . . . . 0.0 110.83 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -56.42 151.48 13.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.417 ' CB ' ' HG3' ' A' ' 57' ' ' MET . 88.5 t80 -135.58 146.75 48.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -107.54 93.06 9.37 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -48.53 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 11.4 mt -52.61 -51.88 57.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.479 ' N ' ' CD2' ' A' ' 135' ' ' LEU . 0.2 OUTLIER -45.14 -39.21 5.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -48.72 -46.07 40.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.41 41.26 2.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -98.92 139.13 35.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -118.81 -108.43 2.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.53 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.556 ' H ' ' NE2' ' A' ' 140' ' ' GLN . 0.4 OUTLIER -91.38 158.65 16.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.81 0.338 . . . . 0.0 110.909 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -81.74 -48.91 11.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 143' ' ' ALA . 96.0 t -43.62 -47.41 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 142' ' ' VAL . . . -34.55 141.29 0.26 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.589 0.709 . . . . 0.0 111.14 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 143.72 51.63 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.685 2.257 . . . . 0.0 112.329 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.52 30.75 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.331 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 110.06 2.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.657 2.238 . . . . 0.0 112.328 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -158.59 142.39 11.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.626 0.727 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -49.68 0.54 Allowed 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.341 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 43.83 80.81 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -115.0 158.28 22.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.725 0.297 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.488 ' C ' ' CD ' ' A' ' 151' ' ' GLN . 0.0 OUTLIER -102.48 40.52 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.874 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.6 ' O ' ' CD2' ' A' ' 153' ' ' PHE . 6.7 tt -74.4 123.08 29.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 152' ' ' ILE . 8.6 m-85 -174.18 156.11 2.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 74.8 p -97.81 -57.06 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -165.52 121.0 0.97 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -33.02 17.43 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.674 2.249 . . . . 0.0 112.332 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 54.1 p 42.75 42.04 2.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 8.9 t -158.3 172.86 17.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.945 . . . . . . . . 0 0 . 1 . 013 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 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 m -99.13 96.73 7.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.832 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.5 p -136.15 170.37 16.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.74 -177.69 19.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -129.82 174.5 9.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.363 . . . . 0.0 110.869 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.2 t -79.37 -52.96 7.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.41 106.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.3 mmt -113.15 162.92 15.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.28 160.76 14.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.9 t -118.26 101.34 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -56.22 132.54 50.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 t -105.1 90.57 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.444 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 1.7 p90 -130.75 24.99 5.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.1 m -65.36 174.39 2.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.5 t -126.23 -37.54 2.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.1 p -113.46 85.28 2.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.5 m -146.79 -175.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.7 52.92 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.478 ' O ' ' C ' ' A' ' 20' ' ' GLU . 1.5 m -96.06 18.39 13.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 19' ' ' SER . 16.4 mt-10 -32.13 101.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -34.45 143.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.7 mt -97.65 -175.09 3.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 24' ' ' ARG . 3.0 m -122.51 163.45 19.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 23' ' ' SER . 13.7 mtm180 -34.17 -58.13 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -49.27 -70.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 29' ' ' ALA . 11.8 m-20 -45.86 -60.37 2.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.5 mmt -39.13 -42.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.2 mt -82.26 -28.58 31.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -67.02 -50.54 61.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.47 ' CD2' ' HG2' ' A' ' 119' ' ' LYS . 27.9 t90 -50.45 -40.61 51.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.458 HG22 ' CE3' ' A' ' 30' ' ' TRP . 21.4 t -78.1 -44.85 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -60.38 -13.67 14.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -113.7 -22.14 10.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 m -67.03 -68.41 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.48 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -107.25 21.96 16.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 62.93 54.68 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.48 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 3.9 mm? -90.9 163.67 14.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -130.34 35.68 4.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -71.21 126.96 31.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.433 ' H ' ' NE2' ' A' ' 44' ' ' GLN . 2.7 m -95.26 -4.92 44.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -155.59 143.62 19.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.556 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 12.3 mm -54.69 -39.51 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -52.7 -29.92 29.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.433 ' NE2' ' H ' ' A' ' 40' ' ' THR . 26.9 mt-30 -60.51 -33.83 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.8 mt -59.05 -28.65 66.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 47' ' ' SER . 1.7 p -40.78 -41.26 1.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 46' ' ' CYS . 88.1 p -34.43 -41.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 95.8 -41.83 2.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.52 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -35.19 -56.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.07 -64.07 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -43.58 -33.5 1.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.0 m -70.54 -53.56 15.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -56.5 -25.96 52.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.445 ' CE2' HD11 ' A' ' 35' ' ' LEU . 22.1 m-85 -69.46 -45.83 68.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 78.2 mmm -55.45 -33.09 63.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -66.95 -43.75 82.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.5 ttm -63.59 -61.69 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.99 -65.06 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.507 ' CD1' ' HE2' ' A' ' 92' ' ' MET . 4.3 m-85 -115.38 95.83 44.0 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.66 0.743 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 54.2 Cg_endo -69.77 148.17 64.43 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.359 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.05 4.63 78.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.462 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 32.9 m -99.09 -32.2 11.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.9 p -121.38 150.74 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -109.5 111.65 23.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.54 -25.29 53.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -57.87 -38.02 74.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.21 -11.89 57.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.8 t -79.08 126.48 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -94.6 93.48 7.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.905 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -68.36 -14.14 62.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -106.4 21.26 17.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.413 ' CB ' ' HB3' ' A' ' 77' ' ' GLU . . . -58.84 116.27 3.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -114.48 -29.93 6.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.7 mt -83.3 167.47 17.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -68.71 -53.87 19.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -55.95 -23.9 34.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.413 ' HB3' ' CB ' ' A' ' 72' ' ' ALA . 11.7 mt-10 -70.95 -22.05 62.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.0 m-30 -75.22 -39.2 60.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.4 mp -68.13 -43.22 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.154 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -50.53 -56.78 10.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -53.05 -32.14 45.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -75.03 -38.67 61.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -49.24 -57.79 6.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.9 p -60.84 -34.01 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.8 -47.02 82.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.448 ' NE2' ' HB ' ' A' ' 98' ' ' ILE . 10.5 mm-40 -51.83 -36.3 47.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.08 96.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.076 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.53 -22.9 62.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -78.15 -53.1 7.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -65.54 -36.27 83.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -43.87 -50.25 8.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.507 ' HE2' ' CD1' ' A' ' 59' ' ' PHE . 3.0 ptm -87.65 -46.85 9.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.19 39.82 0.33 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.506 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 79.6 t -69.2 122.33 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 111.123 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -87.46 31.82 0.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.7 tptm -121.99 105.34 10.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 42.3 mm -63.83 144.91 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.187 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.448 ' HB ' ' NE2' ' A' ' 86' ' ' GLN . 59.7 mt -104.0 98.73 14.27 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 111.074 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 82.22 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.388 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 102' ' ' LYS . 57.9 t -70.99 -63.37 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -41.56 -23.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 100' ' ' VAL . 14.2 mttt -98.43 -43.22 6.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.4 -48.67 80.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.9 m -55.24 -18.74 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -11.5 60.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 63.58 19.96 63.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.468 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -63.64 103.69 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.556 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 2.0 t80 -40.98 -29.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -78.15 -72.23 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -45.88 -21.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -81.1 -48.98 11.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.48 ' CE1' HG13 ' A' ' 42' ' ' ILE . 5.1 m-85 -46.95 -47.27 21.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -53.56 -48.39 69.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -63.49 -69.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 116' ' ' GLN . 9.0 tp -49.04 -30.37 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.449 ' N ' HG22 ' A' ' 115' ' ' ILE . 8.1 tp60 -63.32 -62.93 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.486 ' HA ' ' CD ' ' A' ' 120' ' ' LYS . 3.4 t90 -69.07 -16.07 63.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -69.75 -30.21 67.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.47 ' HG2' ' CD2' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -74.36 -51.2 15.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.486 ' CD ' ' HA ' ' A' ' 117' ' ' TRP . 3.8 ptmt -61.94 -35.83 79.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -73.99 -23.14 59.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -71.3 -40.01 71.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -81.99 -30.01 31.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.37 -13.6 14.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.403 ' N ' HD21 ' A' ' 125' ' ' ASN . 1.2 m-80 -125.63 -45.07 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.492 ' CE2' ' HA2' ' A' ' 128' ' ' GLY . 85.1 t80 -52.65 109.57 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -100.86 39.85 1.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.492 ' HA2' ' CE2' ' A' ' 126' ' ' TYR . . . 65.71 61.42 5.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.468 ' HG2' ' CE1' ' A' ' 126' ' ' TYR . 0.1 OUTLIER -114.42 106.15 13.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 110.894 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -47.34 142.43 4.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -154.26 130.74 10.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.429 ' CG ' ' HG ' ' A' ' 135' ' ' LEU . 0.1 OUTLIER -105.87 110.92 64.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.628 0.728 . . . . 0.0 110.87 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -36.76 10.24 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.652 2.234 . . . . 0.0 112.312 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 21.4 mt -60.86 -51.28 69.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.431 ' HA ' ' CG ' ' A' ' 138' ' ' GLN . 57.8 mt -51.42 -35.15 37.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -56.22 -24.83 44.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.3 28.61 4.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.431 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 43.9 mm-40 -86.03 137.83 32.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 139.99 43.1 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.446 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -150.82 163.84 37.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 142' ' ' VAL . 17.8 t0 -68.59 -45.74 71.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 141' ' ' ASP . 61.7 t -36.69 -36.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -46.23 158.37 0.38 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.526 0.679 . . . . 0.0 111.113 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 159.0 54.97 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.671 2.247 . . . . 0.0 112.322 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 156.64 62.93 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.35 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 4.85 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.359 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -39.36 144.27 0.47 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.716 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -45.11 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.645 2.23 . . . . 0.0 112.322 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -177.9 -116.53 0.49 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.66 79.59 9.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.311 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -122.46 160.89 24.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 44.9 mt -48.18 117.67 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 154' ' ' SER . 75.0 t80 -57.5 -73.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 153' ' ' PHE . 32.3 t -36.98 -55.45 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 135.88 -98.93 0.3 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -42.89 3.0 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.623 2.215 . . . . 0.0 112.349 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 25.4 p -40.08 128.38 2.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.7 m -97.21 116.46 29.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -78.84 -51.98 8.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.812 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t -88.07 106.36 18.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.03 69.13 0.36 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.4 p -66.84 -33.46 75.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.838 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.5 m -105.19 172.9 6.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.824 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.25 -47.2 1.07 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.438 ' C ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -105.21 -179.97 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.866 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.47 ' N ' ' SD ' ' A' ' 92' ' ' MET . . . -83.54 134.8 34.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.3 t -87.79 89.56 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -41.21 111.75 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 t -91.65 101.08 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.136 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -108.72 35.55 3.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.5 m -118.56 45.67 1.99 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.4 p -102.62 159.89 15.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.7 p 48.76 36.48 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.67 -28.34 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.2 t -110.6 162.87 14.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.26 -4.81 59.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.401 ' O ' ' OD1' ' A' ' 21' ' ' ASN . 1.1 tt0 -65.36 118.55 9.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 20' ' ' GLU . 1.4 m-20 -144.86 124.81 13.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.4 mt -95.53 163.31 13.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 t -122.95 -176.37 3.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -47.66 -45.79 28.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -58.5 -69.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 29' ' ' ALA . 11.4 m-20 -52.1 -61.44 2.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' ASP . 4.5 mmt -37.16 -43.36 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.42 ' O ' ' ND2' ' A' ' 32' ' ' ASN . 31.4 mt -78.95 -38.66 36.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -58.32 -42.81 87.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.561 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 4.5 t90 -57.99 -55.37 35.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.432 ' CG2' HD13 ' A' ' 115' ' ' ILE . 62.9 t -66.4 -34.85 72.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 28' ' ' LEU . 2.0 m-80 -62.72 -20.93 65.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -104.95 -31.45 9.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.4 m -54.87 -66.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.557 HD11 ' CD2' ' A' ' 54' ' ' PHE . 0.8 OUTLIER -111.49 18.47 19.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 64.1 52.28 2.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.0 mm? -83.36 166.42 18.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -135.02 38.9 2.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -80.45 124.58 29.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.1 p -90.86 -12.08 37.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -140.5 144.26 35.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.561 HG13 ' CE1' ' A' ' 112' ' ' PHE . 6.4 mm -61.21 -33.06 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -59.48 -33.0 70.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -53.19 -46.09 68.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.9 mt -43.8 -28.51 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 47' ' ' SER . 17.3 p -42.57 -37.66 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.45 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 2.5 p -34.37 -40.61 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 96.28 -46.99 1.8 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.26 -57.23 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.819 0.343 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.8 -64.57 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -43.01 -38.36 2.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.424 ' CB ' HG21 ' A' ' 68' ' ' VAL . 15.0 m -66.18 -56.81 9.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -48.23 -25.36 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.557 ' CD2' HD11 ' A' ' 35' ' ' LEU . 10.4 m-85 -72.3 -46.89 53.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 59.4 mmm -51.47 -39.7 58.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -60.09 -52.02 67.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.462 ' HG3' ' CB ' ' A' ' 131' ' ' TYR . 5.2 ttm -58.37 -56.04 27.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.58 -64.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.52 ' CD2' ' HE3' ' A' ' 92' ' ' MET . 4.0 m-85 -114.84 99.91 52.68 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.699 0.761 . . . . 0.0 110.866 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 143.21 49.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.31 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.08 18.89 78.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.452 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.8 m -108.45 -35.63 6.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.357 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.1 p -116.3 155.77 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -114.78 96.84 5.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.2 mp -65.12 -30.08 70.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.26 -43.26 67.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.432 ' O ' ' NE2' ' A' ' 80' ' ' HIS . 15.2 mttt -80.46 -19.89 45.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.437 HG11 ' CD1' ' A' ' 70' ' ' PHE . 54.6 t -68.94 131.34 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -98.02 102.4 14.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.437 ' CD1' HG11 ' A' ' 68' ' ' VAL . 3.6 m-85 -75.39 -37.18 60.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -87.58 36.24 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.01 130.6 43.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.063 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -129.2 -35.77 1.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 49.9 mt -78.13 171.06 15.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.553 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 14.5 tt0 -71.85 -60.6 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -48.58 -33.42 9.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -64.84 -33.23 75.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.553 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 23.2 m-85 -62.25 -28.13 69.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.403 HG21 ' CE ' ' A' ' 83' ' ' LYS . 3.9 mp -81.09 -38.83 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.152 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.432 ' NE2' ' O ' ' A' ' 67' ' ' LYS . 38.6 t60 -46.22 -65.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 47' ' ' SER . 7.9 p30 -50.84 -28.75 10.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.476 ' CG ' HG21 ' A' ' 100' ' ' VAL . 2.8 m-85 -78.34 -33.82 48.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.403 ' CE ' HG21 ' A' ' 79' ' ' ILE . 51.2 mttt -57.29 -66.47 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.4 p -55.16 -32.0 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.7 tp -64.49 -49.25 72.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -48.11 -41.38 26.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.99 -41.9 71.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.57 -34.93 71.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -64.97 -55.46 18.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' MET . 0.4 OUTLIER -64.56 -41.09 96.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 90' ' ' LYS . 28.5 mttp -34.11 -35.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.52 ' HE3' ' CD2' ' A' ' 59' ' ' PHE . 8.7 ptp -111.31 -38.88 4.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 121.46 35.56 0.79 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.445 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.419 HG21 ' CB ' ' A' ' 9' ' ' ALA . 40.6 t -54.05 122.58 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 111.11 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -83.48 36.65 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.556 ' HG2' ' CH2' ' A' ' 117' ' ' TRP . 14.8 tptt -135.2 117.39 15.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.418 HG21 ' N ' ' A' ' 98' ' ' ILE . 37.7 mm -77.41 143.76 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.418 ' N ' HG21 ' A' ' 97' ' ' ILE . 38.4 mt -103.26 97.29 9.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 111.187 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 79.31 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.476 HG21 ' CG ' ' A' ' 82' ' ' PHE . 66.1 t -66.63 -63.27 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 100' ' ' VAL . 5.2 mm-40 -36.06 -37.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -87.57 -43.07 12.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.401 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 13.7 mt -59.3 -56.12 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.47 ' O ' ' C ' ' A' ' 105' ' ' LYS . 13.2 m -42.86 -48.05 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 104' ' ' VAL . 6.8 mmpt? -32.83 -40.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.86 29.62 12.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -72.76 172.08 11.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.482 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 1.4 t80 -100.69 -30.45 11.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -73.45 -71.06 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -49.45 -24.1 1.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -77.1 -45.39 27.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.561 ' CE1' HG13 ' A' ' 42' ' ' ILE . 3.4 m-85 -51.03 -60.8 2.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -44.35 -63.77 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -39.28 -70.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.458 HG23 ' N ' ' A' ' 116' ' ' GLN . 8.8 tp -52.68 -33.94 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.183 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.458 ' N ' HG23 ' A' ' 115' ' ' ILE . 0.0 OUTLIER -56.98 -60.9 2.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.556 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 3.6 t90 -68.18 -28.77 67.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -59.17 -26.46 64.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.561 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 22.6 tptp -65.3 -66.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -55.5 -48.22 74.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -56.42 -33.39 65.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.558 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 0.5 OUTLIER -72.22 -41.62 66.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -72.6 -34.9 67.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -54.48 -35.78 63.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.84 -48.16 4.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.507 ' CZ ' ' HA2' ' A' ' 128' ' ' GLY . 18.6 t80 -41.89 133.61 2.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -131.41 41.83 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.507 ' HA2' ' CZ ' ' A' ' 126' ' ' TYR . . . 45.07 67.8 1.1 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.495 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 130' ' ' ASP . 2.5 mtmp? -98.61 19.8 14.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 129' ' ' LYS . 2.0 t70 34.2 41.27 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.462 ' CB ' ' HG3' ' A' ' 57' ' ' MET . 78.1 t80 -51.38 151.94 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.472 ' CB ' HD11 ' A' ' 135' ' ' LEU . 3.6 m120 -114.73 99.44 51.79 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.639 0.733 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -47.28 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.651 2.234 . . . . 0.0 112.358 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 44.6 mt -52.1 -52.72 49.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.472 HD11 ' CB ' ' A' ' 132' ' ' ASN . 76.3 mt -50.2 -40.08 46.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -45.46 -38.02 5.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.07 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -119.68 42.69 2.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -105.8 84.23 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -146.18 -72.62 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.44 174.9 11.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 142' ' ' VAL . 8.9 t70 -120.3 -40.09 2.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 141' ' ' ASP . 85.9 t -36.16 -44.33 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -36.14 137.97 0.47 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.537 0.684 . . . . 0.0 111.098 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 126.9 13.85 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.701 2.268 . . . . 0.0 112.336 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 147.27 62.67 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.333 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 139.5 40.45 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.652 2.235 . . . . 0.0 112.349 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -92.52 143.84 27.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.667 0.746 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 149' ' ' GLY . 54.1 Cg_endo -69.79 -45.62 1.51 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.631 2.221 . . . . 0.0 112.348 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 148' ' ' PRO . . . 36.04 63.77 0.61 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.494 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -110.03 88.92 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -70.91 98.6 1.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 74.1 mt -87.64 100.67 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -153.78 128.87 9.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.3 m -161.86 144.58 11.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 174.31 -178.42 46.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.515 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 155.93 64.57 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.342 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 29.4 t -133.57 42.22 3.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 27.7 p -143.68 159.11 43.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.494 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -146.72 140.25 25.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.2 m -57.38 98.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.7 97.63 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 p -118.89 39.08 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 110.849 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -161.24 130.75 4.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.89 -43.73 1.63 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.485 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.3 mmt -115.45 162.53 17.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.419 ' N ' ' SD ' ' A' ' 92' ' ' MET . . . -83.14 166.75 18.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 11' ' ' ASN . 67.0 t -132.6 87.35 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 10' ' ' VAL . 1.8 m-80 -34.07 142.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.438 ' CG1' ' HG3' ' A' ' 120' ' ' LYS . 2.2 t -123.22 68.23 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.21 -1.49 56.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 m -78.17 142.56 37.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.2 t -71.8 137.71 47.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 17' ' ' VAL . 19.7 m -89.2 113.83 25.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 16' ' ' SER . 11.5 m -34.4 -50.83 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.6 p -55.86 112.83 1.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.67 -2.01 48.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -111.85 114.53 27.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -74.5 169.21 18.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.8 mt -78.28 170.24 16.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 24' ' ' ARG . 8.1 t -120.27 157.55 28.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 23' ' ' SER . 16.1 ttt180 -33.97 -49.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -50.35 -70.42 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -52.87 -52.61 56.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.2 mmt -46.72 -42.33 16.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.3 mt -81.01 -31.01 34.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.93 -33.42 74.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.533 ' CD1' ' HE3' ' A' ' 119' ' ' LYS . 14.4 t90 -64.18 -42.02 96.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.3 t -81.69 -41.84 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.17 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -60.86 -17.49 50.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.97 -43.81 4.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 m -53.5 -67.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.496 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 11.2 mt -98.74 15.07 26.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 58.01 54.03 6.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.496 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.3 mm? -87.29 170.83 11.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -132.91 37.79 3.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -78.53 122.65 26.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.2 t -93.23 -9.18 40.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -147.04 137.55 23.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.51 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 3.3 mm -54.17 -46.01 67.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.135 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -44.66 -32.31 1.44 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' CYS . 25.5 mt-30 -57.99 -46.35 85.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.1 mt -40.04 -27.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 47' ' ' SER . 31.7 p -43.1 -39.06 2.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 46' ' ' CYS . 3.2 t -33.85 -44.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 100.41 -50.17 1.08 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -33.75 -56.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.71 -60.69 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -50.3 -37.96 39.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 11.2 m -67.64 -51.41 50.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -54.22 -25.65 24.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.475 ' CG ' HD13 ' A' ' 35' ' ' LEU . 8.8 m-85 -73.29 -45.16 57.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 46.3 mmm -47.66 -42.85 25.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -65.73 -39.11 90.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.838 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.481 ' SD ' ' CB ' ' A' ' 131' ' ' TYR . 6.8 tpp -56.37 -58.73 6.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 74.5 mt -73.72 -62.44 1.49 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.541 ' CD2' ' HE3' ' A' ' 92' ' ' MET . 2.0 m-85 -103.07 96.01 7.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.656 0.741 . . . . 0.0 110.919 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 142.87 49.06 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.245 . . . . 0.0 112.324 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.28 19.64 72.52 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 23.6 m -104.07 -35.99 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.2 p -116.37 152.88 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.52 ' CD2' ' HB2' ' A' ' 66' ' ' ARG . 2.9 t-160 -106.77 99.46 9.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 mp -66.04 -36.87 84.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.52 ' HB2' ' CD2' ' A' ' 64' ' ' HIS . 11.4 mmm180 -47.72 -42.79 26.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.856 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -76.89 -23.04 52.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.454 ' CG1' ' HA ' ' A' ' 49' ' ' ALA . 71.8 t -70.56 130.85 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.419 ' HE2' ' CD2' ' A' ' 80' ' ' HIS . 32.2 mttm -99.57 105.27 17.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -74.2 -43.78 55.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -82.8 40.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.96 121.31 20.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -117.35 -37.79 3.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.5 mt -79.74 166.48 21.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.949 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.44 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 41.7 tt0 -65.53 -62.75 1.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.4 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.2 p80 -43.73 -39.25 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.4 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 26.4 mt-10 -56.32 -38.23 71.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.44 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.7 m-85 -64.14 -40.5 96.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.7 mp -65.07 -49.1 81.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.419 ' CD2' ' HE2' ' A' ' 69' ' ' LYS . 55.9 t60 -48.48 -60.17 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -46.97 -33.77 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 103' ' ' LEU . 13.3 m-85 -75.49 -42.04 53.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.7 mttp -44.53 -62.07 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.6 p -55.51 -39.11 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.1 tp -60.25 -47.8 84.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -51.24 -36.27 41.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.26 89.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.85 -34.23 76.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.432 ' CG ' HD13 ' A' ' 98' ' ' ILE . 3.5 m-85 -62.92 -44.61 95.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 91' ' ' LYS . 50.7 mmtt -74.04 -38.86 63.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 90' ' ' LYS . 12.1 mtpp -34.7 -40.44 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.541 ' HE3' ' CD2' ' A' ' 59' ' ' PHE . 16.6 ptp -102.18 -43.81 5.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.96 29.26 0.88 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 83.6 t -54.4 120.58 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -86.99 36.7 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.497 ' HG2' ' CH2' ' A' ' 117' ' ' TRP . 16.3 tptt -124.93 98.27 5.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.448 HG21 ' N ' ' A' ' 98' ' ' ILE . 34.3 mm -59.57 138.72 20.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.448 ' N ' HG21 ' A' ' 97' ' ' ILE . 60.0 mt -100.19 99.85 10.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.646 0.736 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 82.64 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.473 HG22 ' CG ' ' A' ' 82' ' ' PHE . 66.7 t -72.57 -53.53 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -46.09 -24.63 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -99.62 -53.72 3.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.535 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 23.2 mt -49.42 -54.91 15.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.452 ' CG1' HG11 ' A' ' 100' ' ' VAL . 33.1 m -45.36 -41.45 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -51.36 -35.38 38.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.03 36.1 6.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -73.91 107.46 6.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.646 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 5.1 t80 -47.36 -30.73 3.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -75.95 -71.19 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -48.84 -19.64 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -80.9 -50.29 9.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.646 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 1.9 m-85 -45.77 -47.86 15.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -56.2 -58.92 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -46.54 -70.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 116' ' ' GLN . 8.8 tp -51.71 -44.55 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.128 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.474 ' N ' HG22 ' A' ' 115' ' ' ILE . 18.3 tp60 -49.58 -49.04 48.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.497 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 8.1 t90 -73.59 -42.25 61.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -52.91 -18.45 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.533 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 10.2 tptm -66.95 -58.03 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.438 ' HG3' ' CG1' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -71.93 -32.14 67.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -65.23 -24.08 67.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 0.5 OUTLIER -79.85 -44.77 19.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -70.0 -36.61 75.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -49.5 -37.36 26.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 126' ' ' TYR . 3.1 m-80 -101.02 -41.89 6.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.469 ' CZ ' ' HA2' ' A' ' 128' ' ' GLY . 69.9 t80 -35.19 128.87 0.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -123.28 36.33 4.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.469 ' HA2' ' CZ ' ' A' ' 126' ' ' TYR . . . 53.65 86.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.19 166.74 23.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.07 132.22 45.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.481 ' CB ' ' SD ' ' A' ' 57' ' ' MET . 62.5 t80 -139.56 147.33 41.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.68 102.92 38.1 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.623 0.725 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.411 ' HG3' ' C ' ' A' ' 35' ' ' LEU . 53.9 Cg_endo -69.71 -19.27 36.59 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.704 2.27 . . . . 0.0 112.369 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.2 mt -76.74 -54.16 7.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.409 ' HA ' ' CG ' ' A' ' 138' ' ' GLN . 65.7 mt -47.25 -39.33 14.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -47.66 -35.94 10.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.05 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -121.66 40.23 3.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.409 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 32.7 mm-40 -99.13 142.63 30.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 173.83 -87.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.51 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.623 ' H ' ' NE2' ' A' ' 140' ' ' GLN . 0.5 OUTLIER -94.18 142.22 27.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.903 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 142' ' ' VAL . 1.0 OUTLIER -78.03 -41.96 33.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 141' ' ' ASP . 84.3 t -36.67 -43.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -36.63 150.17 0.14 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.575 0.703 . . . . 0.0 111.105 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 116.1 4.4 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.734 2.29 . . . . 0.0 112.33 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 160.59 49.12 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.723 2.282 . . . . 0.0 112.324 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 141.9 46.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.665 2.243 . . . . 0.0 112.308 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . 0.421 ' C ' ' OD1' ' A' ' 147' ' ' ASN . 5.6 p30 -40.61 146.56 0.44 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.72 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -43.1 2.89 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.725 2.283 . . . . 0.0 112.319 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 162.85 62.75 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.53 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -48.37 112.7 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.758 0.313 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -82.32 156.37 24.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.956 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 20.2 tt -94.06 146.51 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.176 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -42.83 112.22 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.5 t -73.14 111.95 8.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 152.57 119.72 0.81 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 116.19 4.44 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 0.0 112.335 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 79.2 p -90.43 128.69 36.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.6 m 42.84 41.36 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.445 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 m -64.15 150.67 45.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.381 . . . . 0.0 110.821 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 m -103.19 -62.38 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.03 -156.41 10.58 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -53.54 178.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.842 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -56.04 131.47 47.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.37 140.07 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.46 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -131.79 170.97 14.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.783 0.325 . . . . 0.0 110.838 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.84 156.23 23.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.0 t -139.74 123.17 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 1.6 m-80 -82.46 30.63 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 11' ' ' ASN . 16.2 t 34.88 52.76 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 11' ' ' ASN . 11.7 m-85 -57.49 -44.09 84.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.9 p -45.73 160.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.8 t -119.36 128.42 54.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.7 m -97.77 130.79 44.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.5 p -101.9 -41.34 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.5 p -44.63 -56.61 4.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.4 m -119.11 150.12 40.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 21' ' ' ASN . 14.5 pt-20 -105.45 -52.19 2.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.406 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -156.98 148.48 22.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 -179.895 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.7 mt -93.52 170.0 9.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 24' ' ' ARG . 4.8 m -110.34 162.19 14.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 23' ' ' SER . 8.7 ptt-85 -34.63 -50.34 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -57.98 -72.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -41.8 -52.93 3.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -45.41 -46.56 13.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.448 HD11 ' N ' ' A' ' 41' ' ' LYS . 85.9 mt -76.77 -33.15 58.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.19 -37.67 86.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.515 ' CD2' ' HG2' ' A' ' 119' ' ' LYS . 24.2 t90 -62.34 -49.88 73.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.409 HG22 ' CE3' ' A' ' 30' ' ' TRP . 60.1 t -71.66 -37.33 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.187 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 28' ' ' LEU . 1.6 m-80 -58.25 -21.33 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -104.92 -36.01 7.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.7 m -49.18 -67.19 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.466 HD12 ' CD2' ' A' ' 54' ' ' PHE . 1.7 mt -110.49 19.14 19.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 62.66 50.83 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.4 mm? -79.99 168.35 19.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -132.99 32.48 3.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -72.04 138.7 48.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.426 ' C ' ' HG3' ' A' ' 41' ' ' LYS . 2.4 m -111.88 2.53 17.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.448 ' N ' HD11 ' A' ' 28' ' ' LEU . 2.4 mtpp -153.88 147.92 25.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.483 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 2.8 mm -69.15 -27.87 36.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.51 ' OE1' ' CE1' ' A' ' 108' ' ' PHE . 1.6 pm0 -65.87 -32.46 73.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.834 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 46' ' ' CYS . 24.6 mt-30 -57.11 -48.2 79.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.4 mt -40.88 -25.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' GLN . 23.5 p -42.45 -36.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 46' ' ' CYS . 24.1 p -34.92 -45.25 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 97.25 -45.63 1.76 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.434 ' HA ' ' CG1' ' A' ' 68' ' ' VAL . . . -37.18 -62.43 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.787 0.327 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.79 -58.68 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -46.49 -36.57 6.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.465 ' CB ' HG23 ' A' ' 68' ' ' VAL . 35.5 m -68.94 -49.12 60.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.425 ' NE2' HD22 ' A' ' 65' ' ' LEU . 56.3 tp60 -53.81 -23.14 11.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.466 ' CD2' HD12 ' A' ' 35' ' ' LEU . 12.6 m-85 -75.28 -47.57 27.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.51 ' HE1' ' CD1' ' A' ' 89' ' ' PHE . 40.8 mmm -51.85 -34.31 40.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -67.83 -42.54 81.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.0 ttm -59.62 -63.24 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.0 mt -59.75 -66.5 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -104.88 100.53 24.42 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.655 0.74 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 142.21 47.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.331 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.77 28.92 74.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 87.3 m -112.04 -38.74 4.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.9 p -113.35 147.33 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 66' ' ' ARG . 3.1 t-160 -102.96 96.99 7.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.425 HD22 ' NE2' ' A' ' 53' ' ' GLN . 2.1 mp -66.44 -35.39 80.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.56 ' HB2' ' CD2' ' A' ' 64' ' ' HIS . 11.2 mpt_? -48.6 -43.12 35.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -76.77 -21.0 55.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.465 HG23 ' CB ' ' A' ' 52' ' ' CYS . 78.2 t -73.75 132.75 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -101.42 107.4 18.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -76.77 -41.31 45.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -84.15 38.01 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.46 132.67 43.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -127.51 -33.43 2.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 79.8 mt -80.61 160.28 25.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.558 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 17.8 tt0 -61.7 -62.92 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.44 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.8 p80 -41.73 -42.17 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.44 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 23.3 mt-10 -55.75 -39.37 71.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.558 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 18.8 m-85 -56.93 -39.28 74.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.956 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.1 mp -71.83 -50.41 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -42.96 -60.6 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -49.27 -36.8 21.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.41 ' HB3' ' CG2' ' A' ' 100' ' ' VAL . 7.2 m-85 -73.62 -34.99 65.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -51.66 -63.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.3 p -54.69 -35.31 32.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.85 -51.6 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -46.57 -30.54 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.72 -46.85 83.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.24 -17.11 62.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.51 ' CD1' ' HE1' ' A' ' 55' ' ' MET . 4.6 m-85 -85.5 -44.69 12.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -77.59 -31.51 53.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 92' ' ' MET . 1.1 ptmt -42.61 -40.5 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.447 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 5.0 ptp -101.18 -41.58 6.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.58 27.23 1.08 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.7 t -54.78 119.63 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.164 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.05 30.15 0.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.564 ' HG3' ' CH2' ' A' ' 117' ' ' TRP . 2.9 tmtm? -113.4 91.68 3.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 93.4 mt -57.87 134.7 22.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 67.7 mt -98.49 101.75 12.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.639 0.733 . . . . 0.0 111.139 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 81.34 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.322 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 102' ' ' LYS . 58.4 t -72.99 -60.98 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 100' ' ' VAL . 1.9 mt-10 -36.84 -29.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 100' ' ' VAL . 17.3 mttm -97.85 -56.08 2.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.7 mt -43.56 -51.27 6.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 106' ' ' GLY . 33.1 m -51.62 -46.34 37.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 104' ' ' VAL . 1.1 mmmp? -36.29 -32.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 104' ' ' VAL . . . 82.11 36.69 17.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.437 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.4 mmtm -78.07 179.16 6.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.353 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.603 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 4.3 t80 -110.63 -17.67 13.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.501 ' C ' ' CD ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -86.69 -72.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.31 -23.51 1.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -78.28 -34.03 49.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.603 ' CD2' ' O ' ' A' ' 108' ' ' PHE . 2.0 m-85 -62.8 -56.56 16.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -51.49 -37.24 48.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -66.71 -69.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 9.9 tp -56.77 -23.62 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -64.59 -52.01 59.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.564 ' CH2' ' HG3' ' A' ' 96' ' ' LYS . 8.5 t90 -76.15 -42.45 46.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -41.35 -49.16 3.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.515 ' HG2' ' CD2' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -46.93 -47.94 21.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -66.23 -53.49 36.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.599 ' CE2' ' OD1' ' A' ' 125' ' ' ASN . 68.0 t80 -47.12 -30.99 3.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.38 -42.24 79.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.84 -27.86 58.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.37 -38.9 85.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.599 ' OD1' ' CE2' ' A' ' 121' ' ' PHE . 1.6 m120 -90.53 -53.23 4.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.513 ' CE2' ' HA2' ' A' ' 128' ' ' GLY . 62.6 t80 -42.44 122.3 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -117.03 33.61 5.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.513 ' HA2' ' CE2' ' A' ' 126' ' ' TYR . . . 69.8 74.8 0.62 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.451 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -138.43 129.4 26.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -68.87 122.71 19.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -129.92 139.15 51.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.411 ' HA ' ' HD2' ' A' ' 133' ' ' PRO . 7.3 m120 -104.23 104.97 47.11 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.62 0.724 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 132' ' ' ASN . 53.8 Cg_endo -69.68 -49.59 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 135' ' ' LEU . 12.6 mt -55.18 -65.8 0.52 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' A' ' 134' ' ' LEU . 0.2 OUTLIER -33.17 -39.08 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 134' ' ' LEU . . . -40.91 -55.98 2.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.438 ' HB3' ' NH1' ' A' ' 137' ' ' ARG . 5.1 mmm180 -134.94 46.18 2.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.68 147.59 31.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -166.51 -46.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.521 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -139.88 169.7 17.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.69 -41.3 4.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 143' ' ' ALA . 96.0 t -38.62 -40.84 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 142' ' ' VAL . . . -35.88 136.24 0.5 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.566 0.698 . . . . 0.0 111.108 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 110.37 2.53 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.344 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 166.3 28.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.723 2.282 . . . . 0.0 112.313 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 139.47 40.08 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -101.48 137.23 19.57 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.617 0.722 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -161.68 0.08 OUTLIER 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 174.27 128.88 1.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -106.49 126.3 52.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -126.18 144.57 50.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 5.0 mp -138.83 118.8 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -145.31 118.93 9.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 10.9 t -138.04 165.88 25.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -166.47 159.57 32.92 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.532 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 167.39 24.53 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.383 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 6.4 t -61.96 142.77 57.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.4 t -101.66 -61.71 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.491 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -88.28 111.29 21.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.829 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.1 p -93.41 -24.8 17.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.43 171.91 38.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -172.55 122.65 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.364 . . . . 0.0 110.862 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.7 p -108.56 175.65 5.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.69 -37.48 2.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.1 mmt -113.88 168.01 10.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.48 139.97 31.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.9 t -105.79 95.68 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.168 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.546 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 1.2 m-80 -43.94 113.82 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.434 ' CG2' ' HA ' ' A' ' 121' ' ' PHE . 35.1 t -74.64 97.5 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.546 ' CE1' ' HB3' ' A' ' 11' ' ' ASN . 7.5 m-85 -119.22 78.88 1.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.0 p -111.39 166.3 11.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.2 t -131.65 124.48 29.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.153 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 17' ' ' VAL . 3.3 m -162.92 162.65 26.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 16' ' ' SER . 9.0 p -34.13 139.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.0 t -76.66 6.72 5.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -115.11 14.22 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 21' ' ' ASN . 0.8 OUTLIER -97.87 120.77 38.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 20' ' ' GLU . 32.5 m-20 -173.2 160.87 4.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.7 mt -84.3 168.56 15.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 24' ' ' ARG . 2.2 m -111.92 158.86 18.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 23' ' ' SER . 9.7 mtm-85 -33.92 -68.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.816 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 24' ' ' ARG . 46.4 t60 -36.28 -69.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 29' ' ' ALA . 1.1 m-20 -50.91 -64.4 0.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' ASP . 3.7 mmt -34.65 -47.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 mt -75.63 -37.36 59.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -60.1 -40.53 89.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.098 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.555 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 30.0 t90 -56.52 -46.09 80.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.8 t -75.16 -45.84 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.145 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -60.51 -11.12 6.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -115.45 -29.94 6.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.1 m -60.96 -52.84 63.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.489 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -123.8 18.22 9.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 62.97 53.88 2.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.489 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.5 mm? -86.09 158.76 19.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -118.71 39.63 3.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.425 ' CE2' HD13 ' A' ' 37' ' ' LEU . 29.8 m-85 -85.97 118.16 25.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.9 m -93.11 -8.38 42.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -142.23 128.85 20.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.538 HG13 ' CE1' ' A' ' 112' ' ' PHE . 4.6 mm -46.14 -45.44 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -49.6 -35.26 20.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.41 ' C ' ' N ' ' A' ' 46' ' ' CYS . 13.1 mm-40 -51.17 -48.4 61.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.0 mt -43.56 -23.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 47' ' ' SER . 30.3 p -42.87 -38.94 2.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.502 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 42.5 m -34.39 -48.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.09 -38.77 3.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.44 -60.0 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.32 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.87 -60.12 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -51.43 -39.32 57.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.443 ' CB ' HG21 ' A' ' 68' ' ' VAL . 32.9 m -66.21 -46.96 75.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -58.09 -22.49 50.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -78.09 -45.86 22.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 54.7 mmm -50.06 -37.19 32.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -69.89 -37.6 76.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.477 ' HA ' ' CD2' ' A' ' 131' ' ' TYR . 2.2 ttm -66.47 -57.09 8.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.409 HD21 ' CD1' ' A' ' 122' ' ' PHE . 16.3 mt -61.23 -60.72 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -113.76 110.83 49.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.617 0.722 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 138.09 36.97 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.65 2.233 . . . . 0.0 112.335 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.31 22.49 72.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.91 -37.09 9.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 p -119.47 161.6 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -114.3 104.43 12.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.1 mp -71.33 -32.73 68.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -55.62 -33.86 64.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -93.53 10.53 32.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.443 HG21 ' CB ' ' A' ' 52' ' ' CYS . 46.8 t -104.65 140.62 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.492 ' HZ2' ' CD2' ' A' ' 80' ' ' HIS . 2.0 mtpp -97.69 103.52 15.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -74.58 -26.89 60.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -120.13 57.27 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.41 130.47 39.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -118.06 -35.22 3.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.5 mt -86.6 158.85 19.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.565 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 3.0 tp10 -60.47 -59.56 5.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -46.41 -36.21 6.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -61.84 -34.09 75.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.565 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 23.3 m-85 -62.13 -35.65 79.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.957 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.477 HG13 ' CG1' ' A' ' 100' ' ' VAL . 4.6 mp -79.19 -38.6 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.143 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.492 ' CD2' ' HZ2' ' A' ' 69' ' ' LYS . 83.3 t60 -44.56 -63.18 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 47' ' ' SER . 13.1 p30 -51.77 -33.83 36.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.513 ' CZ ' HD12 ' A' ' 103' ' ' LEU . 9.4 m-85 -72.41 -36.75 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -52.77 -60.42 3.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.0 p -61.14 -30.73 48.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.53 -47.07 77.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -49.86 -33.21 16.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.48 -43.75 89.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.8 -11.62 19.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -91.36 -50.78 5.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -69.48 -35.12 75.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 92' ' ' MET . 0.0 OUTLIER -42.98 -43.78 4.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.851 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.424 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 9.0 ptp -97.07 -35.93 10.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 120.42 21.58 3.32 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 77.9 t -46.68 118.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 111.157 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -83.09 35.74 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.55 ' HG2' ' CH2' ' A' ' 117' ' ' TRP . 30.7 tptt -128.72 109.11 11.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 98' ' ' ILE . 4.5 mp -74.08 139.88 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.419 ' N ' HG22 ' A' ' 97' ' ' ILE . 42.6 mt -98.7 102.7 15.64 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.575 0.703 . . . . 0.0 111.15 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 82.66 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.49 HG21 ' CG ' ' A' ' 82' ' ' PHE . 95.6 t -72.85 -46.05 54.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -58.41 -24.83 61.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -99.34 -35.18 10.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.513 HD12 ' CZ ' ' A' ' 82' ' ' PHE . 20.2 mt -68.51 -49.1 62.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.8 m -52.87 -24.24 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -65.68 -28.28 68.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.17 35.86 25.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -78.75 104.16 9.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.596 ' CE2' ' CZ ' ' A' ' 112' ' ' PHE . 3.2 t80 -40.83 -31.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -75.28 -70.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -48.7 -19.91 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -82.03 -46.69 13.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.596 ' CZ ' ' CE2' ' A' ' 108' ' ' PHE . 2.6 m-85 -48.97 -47.75 43.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -56.19 -49.52 73.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -56.6 -70.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 116' ' ' GLN . 7.9 tp -51.3 -40.69 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.473 ' N ' HG23 ' A' ' 115' ' ' ILE . 7.6 tp-100 -51.27 -59.15 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.55 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 8.7 t90 -68.97 -34.09 74.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -55.17 -23.57 22.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.555 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 6.1 tmtm? -76.0 -60.49 2.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.12 -33.16 68.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.434 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 41.3 t80 -69.56 -22.69 63.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.432 ' O ' ' CB ' ' A' ' 126' ' ' TYR . 1.3 t80 -76.58 -41.86 44.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -74.6 -28.84 61.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.9 -33.37 75.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -101.93 -49.31 3.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.432 ' CB ' ' O ' ' A' ' 122' ' ' PHE . 77.9 t80 -43.07 110.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.93 -58.54 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 154.4 41.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.446 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -102.85 159.17 15.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -85.05 135.65 33.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.477 ' CD2' ' HA ' ' A' ' 57' ' ' MET . 48.3 t80 -139.6 121.51 15.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.401 ' HA ' ' HD2' ' A' ' 133' ' ' PRO . 3.0 m120 -91.93 108.76 32.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.729 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 132' ' ' ASN . 53.8 Cg_endo -69.73 -31.14 21.25 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.347 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 136' ' ' ALA . 69.6 mt -70.31 -73.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.49 HD23 ' N ' ' A' ' 135' ' ' LEU . 2.7 mt -31.74 -36.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 134' ' ' LEU . . . -41.23 -51.39 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -135.0 22.38 3.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.489 ' NE2' ' OD1' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -79.61 147.62 32.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -114.26 -58.18 0.38 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.83 133.36 47.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.317 . . . . 0.0 110.906 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.489 ' OD1' ' NE2' ' A' ' 138' ' ' GLN . 48.3 m-20 -87.49 -38.0 16.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 141' ' ' ASP . 96.2 t -36.29 -36.75 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -37.99 134.58 0.85 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 111.072 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 126.98 13.93 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 160.59 49.12 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.667 2.245 . . . . 0.0 112.346 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 160.73 48.62 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -171.56 133.39 0.85 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -161.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.661 2.241 . . . . 0.0 112.377 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 118.53 85.44 1.02 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -121.29 36.08 4.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.715 0.293 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -101.78 119.49 38.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 5.2 mp -134.42 135.94 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -86.1 -52.19 5.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 90.3 p -149.42 159.16 44.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -132.66 149.76 19.58 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -22.27 32.71 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.251 . . . . 0.0 112.387 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 5.1 m 54.92 42.47 31.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 93.7 p -144.92 173.98 11.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 p -90.57 106.37 18.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 0.0 110.847 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -99.09 140.18 33.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.56 143.74 3.52 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 t -129.05 96.25 4.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.915 0.388 . . . . 0.0 110.883 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.3 p -160.49 121.07 2.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.88 -48.2 0.96 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.2 mmt -93.3 177.26 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 0.0 110.939 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.426 ' N ' ' HE1' ' A' ' 92' ' ' MET . . . -103.23 122.15 44.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.099 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.555 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 74.8 t -83.63 88.1 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 10' ' ' VAL . 1.3 m-80 -34.18 149.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.4 t -104.35 81.83 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.444 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 16.2 p90 -130.01 82.88 2.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.0 p -101.87 176.63 5.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.4 t -101.0 -23.82 14.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 96.3 p -52.58 154.7 2.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 18' ' ' THR . 14.8 p -56.11 -34.74 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 17' ' ' VAL . 10.1 t 33.26 47.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.5 m -103.56 10.87 36.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -80.58 115.31 20.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -102.65 124.48 48.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 72.6 mt -72.82 171.71 12.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 24' ' ' ARG . 62.9 p -111.84 151.29 29.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 23' ' ' SER . 18.0 ptt-85 -35.77 -37.05 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -61.07 -63.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -61.0 -48.67 80.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.2 mmt -49.78 -43.48 48.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.7 mt -79.18 -36.94 39.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.2 -38.52 86.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.531 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 16.2 t90 -58.18 -43.48 87.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.5 t -79.34 -38.92 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -66.13 -7.72 19.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -115.32 -36.05 4.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.8 m -57.75 -65.58 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.492 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 4.2 mt -105.8 13.52 29.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 63.5 55.02 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.492 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.3 mm? -82.94 166.25 19.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -127.72 31.5 5.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -75.73 127.11 32.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.3 t -95.65 -7.41 37.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.106 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -149.88 134.87 17.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.56 HG13 ' CE1' ' A' ' 112' ' ' PHE . 3.4 mm -46.31 -46.92 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -42.62 -41.38 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 46' ' ' CYS . 17.2 mm-40 -47.74 -49.38 28.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.42 ' CD1' HD12 ' A' ' 115' ' ' ILE . 30.5 mt -40.01 -27.96 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 47' ' ' SER . 32.0 p -42.41 -39.24 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.494 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 43.2 p -34.34 -49.03 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 106.34 -45.99 1.23 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.35 -52.76 1.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.803 0.335 . . . . 0.0 111.086 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.77 -62.11 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -47.5 -41.15 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.8 m -64.01 -55.73 20.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -49.86 -25.83 3.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -73.86 -45.74 49.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.531 ' HE2' ' CD1' ' A' ' 89' ' ' PHE . 33.0 mmm -53.19 -34.03 55.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -63.93 -50.32 69.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.1 ttp -64.65 -52.51 56.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 75.0 mt -59.66 -60.22 4.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.543 ' CE2' ' HE3' ' A' ' 92' ' ' MET . 6.8 m-85 -120.71 106.62 39.38 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.635 0.731 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.6 Cg_endo -69.74 142.47 48.11 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.742 2.295 . . . . 0.0 112.332 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.45 26.88 70.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.3 t -113.45 -32.81 6.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.8 p -123.65 145.73 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.162 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.615 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 2.2 t60 -100.89 126.07 47.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mp -92.47 -32.38 14.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.581 ' HB2' ' CD2' ' A' ' 64' ' ' HIS . 9.2 mtt180 -58.87 -22.79 59.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.615 ' HG3' ' CD2' ' A' ' 64' ' ' HIS . 6.6 mttp -104.08 12.46 33.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.5 t -102.23 133.98 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.426 ' HG2' ' CD2' ' A' ' 80' ' ' HIS . 38.0 mmtt -92.16 102.83 15.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -81.24 -38.44 26.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -91.78 27.31 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.1 119.07 4.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -115.85 -37.88 3.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.4 mt -84.36 175.81 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.496 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 21.9 tt0 -70.25 -56.33 7.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -53.67 -28.09 31.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.83 -26.69 62.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.496 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 23.1 m-85 -71.03 -25.43 62.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 82' ' ' PHE . 5.0 mp -88.14 -44.26 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.426 ' CD2' ' HG2' ' A' ' 69' ' ' LYS . 57.8 t60 -37.14 -52.53 1.01 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 47' ' ' SER . 9.3 p30 -60.6 -36.11 77.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 79' ' ' ILE . 15.9 m-85 -69.82 -54.13 15.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 82' ' ' PHE . 60.4 mttt -34.15 -61.0 0.38 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.8 p -61.85 -37.53 78.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 82' ' ' PHE . 51.5 tp -60.58 -39.33 87.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -57.91 -34.33 69.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.63 -38.63 87.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.61 -32.86 73.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.531 ' CD1' ' HE2' ' A' ' 55' ' ' MET . 2.9 m-85 -70.27 -48.56 56.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -68.77 -42.91 76.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -38.43 -55.93 1.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.543 ' HE3' ' CE2' ' A' ' 59' ' ' PHE . 4.9 ptm -77.41 -47.92 18.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 125.4 44.77 0.26 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.7 t -77.37 128.17 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.366 . . . . 0.0 111.121 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -87.72 37.63 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -126.86 122.78 35.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 98' ' ' ILE . 93.8 mt -82.45 144.17 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.42 ' N ' HG22 ' A' ' 97' ' ' ILE . 64.2 mt -103.01 97.63 9.98 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.649 0.738 . . . . 0.0 111.131 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 80.55 0.85 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.701 2.268 . . . . 0.0 112.32 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 102' ' ' LYS . 58.7 t -69.94 -61.87 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 100' ' ' VAL . 0.9 OUTLIER -36.67 -30.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 100' ' ' VAL . 0.0 OUTLIER -94.83 -52.89 4.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.486 HD13 ' CZ ' ' A' ' 82' ' ' PHE . 16.8 mt -48.97 -47.62 43.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.46 HG21 ' N ' ' A' ' 105' ' ' LYS . 34.0 m -51.72 -28.01 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.46 ' N ' HG21 ' A' ' 104' ' ' VAL . 6.2 mmmm -58.55 -38.14 77.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.63 32.48 18.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 109' ' ' GLN . 29.4 mtmt -75.53 105.28 6.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.794 0.33 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.536 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 1.8 t80 -36.47 -29.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 107' ' ' LYS . 4.8 tp60 -78.53 -70.58 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -44.86 -21.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.403 ' N ' ' C ' ' A' ' 109' ' ' GLN . 4.9 m-80 -84.03 -45.16 13.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.56 ' CE1' HG13 ' A' ' 42' ' ' ILE . 3.1 m-85 -50.19 -45.85 53.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -58.25 -51.38 69.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -57.37 -68.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.42 HD12 ' CD1' ' A' ' 45' ' ' LEU . 6.3 tp -49.03 -40.23 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.169 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.47 ' CG ' ' O ' ' A' ' 112' ' ' PHE . 1.7 mm-40 -53.38 -60.28 3.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.43 ' CE2' ' HB2' ' A' ' 121' ' ' PHE . 20.7 t90 -65.74 -32.27 73.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -56.81 -28.69 61.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.531 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 20.8 tptt -62.32 -68.97 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.416 ' CE ' ' HA ' ' A' ' 117' ' ' TRP . 21.8 pttt -58.01 -42.23 84.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.43 ' HB2' ' CE2' ' A' ' 117' ' ' TRP . 35.5 t80 -54.7 -30.05 54.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.735 ' CZ ' ' CD2' ' A' ' 126' ' ' TYR . 0.6 OUTLIER -79.19 -28.54 42.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -77.53 -36.09 52.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.25 -23.68 65.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.555 ' ND2' ' H ' ' A' ' 10' ' ' VAL . 1.4 m120 -105.51 -47.53 3.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.735 ' CD2' ' CZ ' ' A' ' 122' ' ' PHE . 31.9 t80 -51.23 135.63 25.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.92 -54.17 2.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 163.42 65.79 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.451 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.07 135.97 46.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -84.02 133.43 34.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.805 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -122.5 140.14 53.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.418 ' CG ' HD11 ' A' ' 135' ' ' LEU . 3.9 m120 -102.61 98.68 11.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.721 . . . . 0.0 110.841 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -27.81 26.22 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.671 2.247 . . . . 0.0 112.39 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 20.3 mt -71.34 -54.37 11.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.418 HD11 ' CG ' ' A' ' 132' ' ' ASN . 61.6 mt -51.73 -41.9 61.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -40.08 -37.48 0.61 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 138' ' ' GLN . 5.9 mmm180 -97.0 -45.77 6.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' A' ' 137' ' ' ARG . 42.5 mm-40 -33.13 143.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -177.28 -48.99 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.45 161.85 26.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 142' ' ' VAL . 1.0 OUTLIER -81.61 -40.23 23.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 141' ' ' ASP . 92.5 t -35.43 -48.36 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -39.9 141.86 0.73 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.62 0.724 . . . . 0.0 111.074 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 114.4 3.69 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.701 2.268 . . . . 0.0 112.319 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 158.48 56.72 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.648 2.232 . . . . 0.0 112.307 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 174.19 9.87 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.662 2.241 . . . . 0.0 112.38 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -132.91 125.52 19.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.739 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -7.51 21.22 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.342 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -71.09 -142.75 0.26 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -157.46 138.57 13.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.815 0.341 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -74.08 92.87 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -94.57 176.35 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -120.64 132.29 55.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.5 t -119.24 -58.53 1.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 69.97 -156.89 53.51 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 111.59 2.85 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.721 2.281 . . . . 0.0 112.354 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 158' ' ' SER . 57.9 p -61.09 174.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 157' ' ' SER . 28.1 m -37.25 -45.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 p -153.85 136.12 14.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 t -97.41 -46.72 5.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.37 159.56 9.5 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 6' ' ' SER . 93.3 p -94.65 39.69 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 5' ' ' SER . 11.3 m -36.52 -43.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.34 107.6 0.2 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.445 ' O ' ' CE1' ' A' ' 59' ' ' PHE . 24.0 mmt -115.19 174.34 6.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.731 0.301 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.489 ' CB ' ' SD ' ' A' ' 92' ' ' MET . . . -89.37 161.87 16.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 11' ' ' ASN . 67.4 t -128.69 85.66 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' VAL . 2.0 m-80 -35.64 135.2 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -118.66 79.66 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.509 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 12.1 p90 -132.68 76.07 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.1 m -135.54 174.98 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.6 p -87.12 163.3 17.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.143 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 17' ' ' VAL . 89.6 p -174.11 135.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 16' ' ' SER . 10.6 p -34.18 140.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -34.66 115.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.0 m -128.4 113.38 15.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 21' ' ' ASN . 12.2 mt-10 -66.48 104.38 1.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -34.87 133.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.0 mt -45.03 164.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 25' ' ' HIS . 68.2 p -106.47 154.66 20.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -37.17 -28.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 23' ' ' SER . 13.4 t-160 -68.8 -64.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.98 -56.85 15.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.447 ' HA ' ' CE ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -42.72 -41.16 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.0 mt -79.61 -38.59 33.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.47 -37.06 79.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.047 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.522 ' CD2' ' HD2' ' A' ' 119' ' ' LYS . 17.7 t90 -62.22 -42.92 99.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.422 HG11 ' CB ' ' A' ' 37' ' ' LEU . 80.9 t -76.39 -42.04 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 2.0 m-80 -59.31 -14.08 10.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -106.84 -27.64 10.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.1 m -66.02 -60.19 3.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.664 ' C ' ' CD2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -123.55 42.07 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.664 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 6.3 p80 41.17 54.97 3.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.529 ' HG ' ' CE2' ' A' ' 39' ' ' TYR . 1.0 OUTLIER -84.54 148.81 26.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -112.5 39.56 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.529 ' CE2' ' HG ' ' A' ' 37' ' ' LEU . 20.9 m-85 -78.14 114.02 16.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 44.8 p -95.21 -4.64 45.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -149.58 131.19 14.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.567 HG13 ' CE1' ' A' ' 112' ' ' PHE . 11.7 mm -47.52 -35.97 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -57.46 -36.27 71.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 46' ' ' CYS . 22.1 mt-30 -53.84 -46.78 71.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.406 HD23 ' CE2' ' A' ' 39' ' ' TYR . 12.2 mt -40.67 -25.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' GLN . 30.4 p -44.95 -36.82 3.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.453 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 38.9 m -34.42 -46.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 97.7 -42.83 2.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.528 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -36.24 -62.97 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.084 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.7 -60.88 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -45.66 -40.11 8.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 11.1 m -64.66 -59.17 4.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -52.58 -23.5 6.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -71.7 -49.16 42.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 42.1 mmm -43.19 -42.56 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -64.69 -44.08 91.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.563 ' HA ' ' CE2' ' A' ' 131' ' ' TYR . 8.6 tpp -51.43 -47.96 62.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.7 mt -82.67 -61.84 1.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.563 ' CD2' ' HE1' ' A' ' 92' ' ' MET . 1.8 m-85 -109.64 96.53 23.85 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.633 0.73 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.83 48.9 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.307 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.99 16.71 80.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.4 m -107.07 -34.99 6.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.4 p -116.55 145.92 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -100.14 98.96 9.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.422 HD11 ' N ' ' A' ' 65' ' ' LEU . 2.1 mp -64.45 -39.69 94.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 5.5 mmm180 -47.12 -42.97 20.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -76.01 -26.56 56.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.3 131.24 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.187 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.474 ' CD ' ' OE1' ' A' ' 77' ' ' GLU . 65.1 mttt -98.87 96.26 7.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -67.25 -37.96 84.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -86.99 43.86 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.63 130.47 35.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -131.85 -36.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.5 mt -78.66 166.82 22.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.486 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 14.0 tt0 -63.0 -62.49 1.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.544 ' CE1' ' HG2' ' A' ' 77' ' ' GLU . 10.1 p80 -45.74 -44.71 13.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.544 ' HG2' ' CE1' ' A' ' 76' ' ' HIS . 13.9 mm-40 -50.7 -36.42 35.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.486 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.5 m-85 -61.81 -41.72 98.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.1 mp -69.92 -55.0 16.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.453 ' CG ' ' HE3' ' A' ' 69' ' ' LYS . 13.5 t60 -37.53 -52.58 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.82 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.77 -44.23 97.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.564 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 10.3 m-85 -62.85 -33.35 75.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -54.38 -71.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.417 HG11 ' N ' ' A' ' 85' ' ' LEU . 6.6 p -46.63 -39.02 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.417 ' N ' HG11 ' A' ' 84' ' ' VAL . 23.4 tp -60.73 -40.27 91.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -51.69 -46.47 63.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.951 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.47 -40.04 64.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.46 -34.85 77.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.423 ' CG ' HD12 ' A' ' 98' ' ' ILE . 2.8 m-85 -68.36 -46.83 69.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 91' ' ' LYS . 37.0 mmtm -69.7 -42.04 74.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 90' ' ' LYS . 12.0 mtpp -34.65 -40.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.563 ' HE1' ' CD2' ' A' ' 59' ' ' PHE . 19.2 ptp -100.55 -43.21 6.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.64 21.51 1.77 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.45 HG22 ' CG ' ' A' ' 92' ' ' MET . 86.2 t -44.77 116.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 111.129 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.2 10.26 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.549 ' HG2' ' CZ3' ' A' ' 117' ' ' TRP . 13.1 tptm -104.39 98.13 7.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 47.1 mm -61.81 147.33 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.423 HD12 ' CG ' ' A' ' 89' ' ' PHE . 24.1 mt -103.34 100.16 17.27 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.562 0.696 . . . . 0.0 111.175 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 79.24 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.371 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.508 HG23 ' CG ' ' A' ' 82' ' ' PHE . 95.7 t -67.93 -58.83 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -39.45 -38.13 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -87.92 -44.83 10.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.564 HD13 ' CZ ' ' A' ' 82' ' ' PHE . 13.6 mt -54.92 -54.86 37.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.1 m -45.0 -45.56 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -45.13 -33.93 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.71 39.95 10.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.514 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 109' ' ' GLN . 11.4 mmmt -77.47 106.02 8.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.588 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 1.8 t80 -40.16 -26.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.498 ' C ' ' CD ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -80.53 -72.22 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -48.34 -23.39 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -80.86 -41.28 23.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.588 ' CD2' ' O ' ' A' ' 108' ' ' PHE . 2.3 m-85 -51.23 -56.73 11.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 114' ' ' PHE . 9.1 mt-10 -49.57 -65.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' GLU . 5.8 t80 -34.89 -70.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.447 HG23 ' N ' ' A' ' 116' ' ' GLN . 9.0 tp -54.13 -39.98 44.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.447 ' N ' HG23 ' A' ' 115' ' ' ILE . 10.9 tp60 -53.77 -37.17 63.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.549 ' CZ3' ' HG2' ' A' ' 96' ' ' LYS . 22.9 t90 -86.1 -50.44 7.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -42.73 -24.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.522 ' HD2' ' CD2' ' A' ' 30' ' ' TRP . 14.1 tptm -58.57 -69.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.438 ' HB3' ' NZ ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -59.92 -35.71 75.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -59.09 -18.96 40.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -89.05 -44.95 10.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -68.85 -37.69 79.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.26 -44.79 53.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -92.1 -45.85 8.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -50.0 122.84 7.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -121.78 41.64 3.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 64.41 78.31 0.21 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.497 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -135.17 115.8 13.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.755 0.312 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -50.47 127.1 16.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.563 ' CE2' ' HA ' ' A' ' 57' ' ' MET . 27.5 t80 -135.37 120.05 18.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.964 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -94.68 104.94 15.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.486 ' HB2' ' CD2' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.76 -51.26 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.492 HD23 ' CE1' ' A' ' 36' ' ' HIS . 6.9 mt -52.79 -59.66 4.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 62.7 mt -40.0 -41.31 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -41.79 -54.11 3.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 25.1 ptt85 -116.89 50.06 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -103.32 151.57 22.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -116.97 -40.04 0.78 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.486 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -136.82 163.52 30.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.841 0.353 . . . . 0.0 110.894 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -102.74 -42.66 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 143' ' ' ALA . 72.7 t -40.83 -41.87 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 142' ' ' VAL . . . -34.36 135.75 0.37 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.56 0.695 . . . . 0.0 111.117 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 112.41 3.07 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.729 2.286 . . . . 0.0 112.303 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 166.24 28.25 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.683 2.256 . . . . 0.0 112.351 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 166.63 26.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.628 2.218 . . . . 0.0 112.325 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -119.01 130.47 24.82 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.612 0.72 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 2.78 3.2 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.7 2.267 . . . . 0.0 112.338 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -127.17 113.74 1.8 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -152.4 137.38 17.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.716 0.293 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 53.81 47.69 23.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 5.4 mp -61.47 111.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.14 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -147.61 167.25 25.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 69.8 m -139.47 129.83 25.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -72.75 151.62 46.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -174.06 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 29.7 p -39.99 132.31 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 34.4 t -124.99 104.81 8.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.527 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p -112.83 -43.98 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 110.858 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.4 p -83.15 -44.85 14.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.36 73.6 0.66 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.535 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 p -109.08 152.14 25.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.917 0.389 . . . . 0.0 110.799 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 t -73.62 -48.2 34.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.68 125.35 1.03 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.9 mmt -117.04 160.86 20.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.338 . . . . 0.0 110.836 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.97 142.88 31.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 11' ' ' ASN . 68.2 t -109.18 85.14 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' VAL . 1.4 m-80 -35.09 126.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.76 82.48 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -130.27 74.15 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m -152.75 176.73 11.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.9 t -133.47 41.17 3.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.9 p -127.61 170.41 12.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p 41.07 30.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.8 p -103.94 95.74 6.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 20' ' ' GLU . 17.4 m -79.16 -179.87 6.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' SER . 9.2 mm-40 -35.42 113.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -71.14 125.8 27.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.423 ' CD2' ' HB3' ' A' ' 26' ' ' ASP . 18.0 mt -53.63 172.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 m -133.68 -74.94 0.48 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -132.14 -67.39 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -50.0 -62.15 1.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.423 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 4.0 m-20 -53.17 -43.32 66.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.8 mmt -54.51 -40.38 68.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.3 mt -79.94 -39.38 30.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.25 -47.13 84.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.069 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.521 ' CE2' ' HD2' ' A' ' 119' ' ' LYS . 14.6 t90 -50.98 -45.79 61.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.5 t -74.61 -41.63 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -55.53 -20.55 13.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -103.72 -27.52 12.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.488 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 23.7 m -63.23 -58.0 8.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.656 ' C ' ' CD2' ' A' ' 36' ' ' HIS . 0.8 OUTLIER -124.44 37.01 4.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.656 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 7.0 p80 46.41 54.93 8.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.57 HD11 ' CE2' ' A' ' 39' ' ' TYR . 2.6 mm? -84.05 162.43 20.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -133.93 37.24 3.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.57 ' CE2' HD11 ' A' ' 37' ' ' LEU . 24.0 m-85 -79.8 117.25 20.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.9 m -83.59 -13.6 54.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -143.34 142.52 31.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.576 HG13 ' CE1' ' A' ' 112' ' ' PHE . 14.4 mm -54.27 -40.85 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -52.05 -28.0 15.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -63.3 -44.92 93.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 46' ' ' CYS . 14.8 mt -41.94 -28.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 47' ' ' SER . 30.4 p -36.21 -36.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 46' ' ' CYS . 2.8 p -34.46 -41.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 87.85 -46.94 3.49 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -33.65 -55.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.8 -59.85 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -45.9 -40.48 10.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.925 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.6 m -64.14 -54.33 35.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -53.13 -32.14 45.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.488 ' CE1' ' HB3' ' A' ' 34' ' ' SER . 10.0 m-85 -63.62 -52.3 61.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.574 ' HE2' ' CD1' ' A' ' 89' ' ' PHE . 65.5 mmm -43.87 -43.3 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -62.15 -48.1 81.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.511 ' HA ' ' CD2' ' A' ' 131' ' ' TYR . 3.4 ttm -57.23 -63.04 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.415 ' CD2' ' HB2' ' A' ' 126' ' ' TYR . 51.6 mt -54.44 -63.56 1.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -113.33 115.87 46.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 138.28 37.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.342 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.1 22.16 70.46 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 31.4 t -95.81 -28.12 14.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.86 0.362 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.9 p -131.66 162.95 38.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.493 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 3.6 t-160 -113.71 95.36 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mp -62.48 -27.16 68.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.493 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 6.6 tpm_? -57.0 -39.26 74.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -83.26 -14.38 53.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.4 t -74.43 131.4 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.563 ' HE3' ' CD2' ' A' ' 80' ' ' HIS . 34.8 mttt -102.73 102.88 13.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.459 ' CD2' ' NE ' ' A' ' 137' ' ' ARG . 3.4 m-85 -75.46 -38.24 59.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -84.78 37.84 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.48 123.64 24.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -121.47 -36.88 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 77.9 mt -79.6 164.24 23.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.5 tt0 -63.92 -59.02 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.417 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 2.3 p80 -45.46 -40.37 8.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 12.4 mt-10 -57.36 -35.81 70.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.568 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.1 m-85 -61.4 -40.55 94.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.2 mp -70.17 -46.49 71.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.563 ' CD2' ' HE3' ' A' ' 69' ' ' LYS . 26.5 t60 -45.86 -63.17 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -44.25 -36.2 2.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.416 ' HB3' ' CG2' ' A' ' 100' ' ' VAL . 13.0 m-85 -75.49 -42.65 52.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -42.8 -57.84 2.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.85 -34.78 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.4 tp -62.47 -45.46 92.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -50.92 -37.22 42.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.87 90.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.18 -15.79 11.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.574 ' CD1' ' HE2' ' A' ' 55' ' ' MET . 3.1 m-85 -87.86 -53.81 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -67.93 -33.07 73.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 92' ' ' MET . 0.0 OUTLIER -44.84 -37.43 3.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.448 ' SD ' ' CG2' ' A' ' 94' ' ' VAL . 8.8 ptp -102.34 -40.17 6.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.43 22.37 1.2 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.448 ' CG2' ' SD ' ' A' ' 92' ' ' MET . 27.6 t -60.85 110.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.18 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -83.02 35.49 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.565 ' HG3' ' CH2' ' A' ' 117' ' ' TRP . 2.1 tmtm? -112.33 85.46 2.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 98' ' ' ILE . 86.2 mt -48.47 136.34 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.443 ' N ' HG22 ' A' ' 97' ' ' ILE . 68.6 mt -103.66 99.41 15.62 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.637 0.732 . . . . 0.0 111.12 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 79.94 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.336 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.497 ' O ' ' N ' ' A' ' 102' ' ' LYS . 41.5 t -69.93 -63.18 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -38.81 -26.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 100' ' ' VAL . 18.4 mttt -96.89 -47.82 5.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.0 mt -55.58 -46.96 77.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.43 HG21 ' N ' ' A' ' 105' ' ' LYS . 25.3 m -55.83 -34.25 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.43 ' N ' HG21 ' A' ' 104' ' ' VAL . 24.7 mmmt -45.93 -35.51 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 88.15 33.12 11.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -77.31 176.95 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.347 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.594 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 2.5 t80 -106.78 -36.32 6.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.425 ' C ' ' N ' ' A' ' 111' ' ' ASN . 3.7 tp60 -74.7 -70.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -43.43 -22.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.425 ' N ' ' C ' ' A' ' 109' ' ' GLN . 2.3 m-80 -84.07 -48.08 10.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.594 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 2.5 m-85 -46.99 -49.69 20.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -56.01 -48.15 76.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.453 ' CE1' ' HE3' ' A' ' 96' ' ' LYS . 8.9 t80 -60.95 -71.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.82 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 6.7 tp -49.05 -42.76 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.499 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 1.3 tp60 -52.37 -57.48 9.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.565 ' CH2' ' HG3' ' A' ' 96' ' ' LYS . 16.7 t90 -65.74 -32.35 73.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -55.74 -33.58 64.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.521 ' HD2' ' CE2' ' A' ' 30' ' ' TRP . 24.0 tptp -61.13 -71.03 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.19 -39.17 43.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -64.29 -29.85 70.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.523 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -72.56 -41.21 66.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -74.16 -35.4 64.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.41 -36.22 31.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -103.92 -46.55 4.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.415 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 62.6 t80 -52.56 101.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -95.02 40.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 65.41 47.96 73.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.518 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.431 ' NZ ' ' O ' ' A' ' 57' ' ' MET . 12.2 ptmm? -101.19 108.24 19.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -50.35 122.39 6.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.511 ' CD2' ' HA ' ' A' ' 57' ' ' MET . 7.7 t80 -136.54 118.19 14.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -84.18 113.92 51.29 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.654 0.74 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.412 ' HB2' ' CD2' ' A' ' 36' ' ' HIS . 54.0 Cg_endo -69.77 -50.87 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.663 2.242 . . . . 0.0 112.363 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.57 HD22 ' CE1' ' A' ' 36' ' ' HIS . 6.7 mt -53.8 -64.76 0.72 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 134' ' ' LEU . 0.2 OUTLIER -33.2 -37.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 134' ' ' LEU . . . -44.56 -54.18 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.459 ' NE ' ' CD2' ' A' ' 70' ' ' PHE . 46.2 ptt85 -134.98 44.67 2.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.83 168.08 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -143.16 -38.96 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.473 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -138.09 148.06 44.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.781 0.324 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 142' ' ' VAL . 0.8 OUTLIER -86.5 -40.54 15.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 143' ' ' ALA . 89.4 t -36.57 -39.36 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 142' ' ' VAL . . . -34.22 148.12 0.1 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.578 0.704 . . . . 0.0 111.101 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 134.06 26.94 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.639 2.226 . . . . 0.0 112.346 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 168.85 20.28 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.713 2.275 . . . . 0.0 112.336 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.99 46.71 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.714 2.276 . . . . 0.0 112.356 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -157.81 153.35 22.39 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.686 0.755 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -161.63 0.08 OUTLIER 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.69 2.26 . . . . 0.0 112.361 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 168.37 -98.79 0.14 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -52.92 151.74 4.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.742 0.306 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -160.86 163.83 31.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 10.5 tt -64.49 123.13 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.412 ' CG ' ' N ' ' A' ' 154' ' ' SER . 38.5 t80 -172.1 169.49 5.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.412 ' N ' ' CG ' ' A' ' 153' ' ' PHE . 28.7 t -62.17 135.46 57.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.864 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -136.67 91.6 0.22 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 114.38 3.68 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.239 . . . . 0.0 112.393 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 15.6 m -102.01 94.97 6.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 25.2 p -95.18 82.97 3.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.809 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.469 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.847 0.356 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.4 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.065 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -40.32 -60.37 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -48.31 -70.89 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 27' ' ' MET . 2.8 m-20 -47.08 -64.55 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.454 ' C ' ' O ' ' A' ' 26' ' ' ASP . 1.2 mmt -33.39 -41.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.3 mt -79.79 -46.63 16.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -53.02 -37.47 61.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.074 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.563 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 19.2 t90 -56.97 -51.03 70.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.562 HG13 ' CE2' ' A' ' 54' ' ' PHE . 18.9 t -71.99 -42.78 68.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -56.79 -17.08 7.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -110.07 -18.71 13.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.9 m -70.84 -65.63 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.715 HD22 ' HG2' ' A' ' 53' ' ' GLN . 0.4 OUTLIER -110.8 20.09 17.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 63.77 54.14 1.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.9 mm? -87.85 164.93 15.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -131.08 31.91 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.48 ' CD1' ' HB3' ' A' ' 44' ' ' GLN . 23.0 m-85 -71.59 129.23 38.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 62.1 p -101.89 -0.56 33.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.147 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -149.82 134.99 18.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.539 HG13 ' CE1' ' A' ' 112' ' ' PHE . 7.1 mm -54.25 -28.12 17.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -25.9 65.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.48 ' HB3' ' CD1' ' A' ' 39' ' ' TYR . 13.8 mm100 -58.77 -37.25 75.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.417 HD13 HD13 ' A' ' 115' ' ' ILE . 18.0 mt -54.84 -16.1 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.2 p -48.94 -37.07 18.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 t -45.95 -36.73 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 88.55 -40.88 3.05 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -34.89 -36.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.7 -53.98 33.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -55.46 -34.17 64.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.931 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.406 ' HA ' HD13 ' A' ' 85' ' ' LEU . 2.7 m -67.99 -41.96 81.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.715 ' HG2' HD22 ' A' ' 35' ' ' LEU . 37.4 tt0 -67.01 -22.8 65.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.708 ' CD2' HD11 ' A' ' 35' ' ' LEU . 12.3 m-85 -74.14 -47.51 35.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.412 ' HG3' ' CD1' ' A' ' 85' ' ' LEU . 74.5 mmm -49.02 -46.36 43.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.35 -39.41 87.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.571 ' HA ' ' CD2' ' A' ' 131' ' ' TYR . 2.7 ttm -63.0 -58.2 8.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.809 HD21 ' CD1' ' A' ' 122' ' ' PHE . 26.9 mt -66.56 -63.61 1.03 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.429 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 5.3 m-85 -111.22 95.78 27.35 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.8 Cg_endo -69.79 143.49 50.89 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.95 1.05 87.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 11.7 m -95.82 -30.61 13.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.2 p -121.9 149.58 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.451 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 5.0 t-160 -109.17 107.27 17.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.66 -15.38 62.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.451 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -69.31 -39.08 78.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -82.09 -3.74 55.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.2 t -88.69 149.58 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -114.53 95.8 5.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -74.72 -16.06 60.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -102.15 14.94 30.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.57 131.57 25.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.8 pttm -125.85 -31.56 2.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.2 mt -91.1 177.69 6.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.547 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 26.9 tt0 -76.95 -47.3 21.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -55.57 -33.11 63.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.48 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 25.6 mt-10 -66.36 -23.09 66.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.547 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 15.4 m-30 -73.62 -36.94 65.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.613 HG13 HG11 ' A' ' 104' ' ' VAL . 3.4 mp -68.44 -48.95 70.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -47.51 -54.92 10.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 77' ' ' GLU . 3.6 m-20 -53.71 -41.08 66.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.507 ' CD2' HG13 ' A' ' 100' ' ' VAL . 12.6 m-85 -66.02 -38.54 88.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.9 mttt -49.79 -65.98 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.4 p -53.22 -36.37 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.093 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.412 ' CD1' ' HG3' ' A' ' 55' ' ' MET . 25.3 tp -64.07 -43.71 94.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -53.69 -33.7 56.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.69 93.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.43 -28.28 66.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -70.83 -56.53 6.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -67.42 -32.76 73.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -48.1 -48.8 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.476 ' CG ' HG23 ' A' ' 94' ' ' VAL . 3.0 ptm -87.7 -45.98 9.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.61 38.21 0.37 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.71 HG12 ' H ' ' A' ' 96' ' ' LYS . 44.7 t -73.33 122.8 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 111.127 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -89.46 25.31 1.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.71 ' H ' HG12 ' A' ' 94' ' ' VAL . 2.8 tmtm? -108.32 89.13 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 27.0 mm -50.0 141.63 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 54.2 mt -105.31 97.71 14.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.741 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 82.7 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.685 2.257 . . . . 0.0 112.379 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.567 ' O ' HG22 ' A' ' 104' ' ' VAL . 62.8 t -72.16 -57.68 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.17 -27.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 100' ' ' VAL . 10.7 mttp -99.01 -53.86 3.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 103' ' ' LEU . 18.0 mt -46.99 -47.65 21.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.613 HG11 HG13 ' A' ' 79' ' ' ILE . 35.7 m -52.81 -46.65 51.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.532 ' N ' HG23 ' A' ' 104' ' ' VAL . 41.7 mmtt -34.03 -40.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.13 25.44 19.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.417 ' HE2' ' N ' ' A' ' 107' ' ' LYS . 6.9 mmpt? -67.99 168.52 11.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.553 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 4.0 t80 -103.56 -15.1 15.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.468 ' C ' ' CD ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -89.91 -71.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -45.38 -21.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -81.1 -51.26 8.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.553 ' CD2' ' O ' ' A' ' 108' ' ' PHE . 3.4 m-85 -43.61 -50.17 7.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -56.1 -61.71 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -43.84 -70.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.567 HG23 ' N ' ' A' ' 116' ' ' GLN . 7.7 tp -50.78 -47.56 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.567 ' N ' HG23 ' A' ' 115' ' ' ILE . 1.2 mm-40 -44.19 -47.94 9.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.477 ' CH2' ' HG3' ' A' ' 96' ' ' LYS . 5.0 t90 -82.66 -19.37 38.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -65.63 -23.44 66.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.563 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 6.2 tmtm? -73.25 -65.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -56.19 -30.25 62.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.491 ' O ' ' ND2' ' A' ' 125' ' ' ASN . 29.2 t80 -70.79 -20.93 62.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.809 ' CD1' HD21 ' A' ' 58' ' ' LEU . 1.3 t80 -86.79 -30.41 21.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -76.88 -27.92 55.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.69 -15.38 63.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.632 ' HB2' HD22 ' A' ' 58' ' ' LEU . 1.3 m-20 -116.35 -39.45 3.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.448 ' CD2' ' CE1' ' A' ' 122' ' ' PHE . 45.5 t80 -65.83 114.3 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -93.21 -39.34 11.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.414 ' HA2' ' CE1' ' A' ' 126' ' ' TYR . . . 147.65 52.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.17 150.78 30.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -86.98 131.71 34.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.571 ' CD2' ' HA ' ' A' ' 57' ' ' MET . 59.2 t80 -130.72 123.45 29.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.637 0.732 . . . . 0.0 110.878 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.635 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.863 0.363 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.436 HG23 ' OD1' ' A' ' 125' ' ' ASN . 60.4 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 24' ' ' ARG . 88.4 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.878 0.371 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 23' ' ' SER . 22.3 ptt-85 -36.04 -45.69 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -54.35 -64.81 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -56.72 -54.0 51.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.663 ' SD ' HG23 ' A' ' 115' ' ' ILE . 3.7 mmt -44.48 -44.94 8.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.46 HD11 ' CA ' ' A' ' 41' ' ' LYS . 28.4 mt -77.76 -35.45 51.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.55 -43.43 97.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.464 ' CD2' ' HG2' ' A' ' 119' ' ' LYS . 26.9 t90 -56.2 -47.21 78.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.458 HG12 ' HB2' ' A' ' 37' ' ' LEU . 85.8 t -71.49 -48.02 55.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -55.7 -19.22 10.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -106.2 -34.28 7.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 m -54.62 -68.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.829 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.5 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 3.4 mt -108.93 21.34 17.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 59.84 54.87 4.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.5 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.6 mm? -84.49 170.31 13.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -133.42 40.69 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.401 ' HE2' ' HB2' ' A' ' 50' ' ' ALA . 29.0 m-85 -85.48 112.38 20.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.0 m -79.24 -16.88 55.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.187 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.46 ' CA ' HD11 ' A' ' 28' ' ' LEU . 34.1 mttm -139.53 147.07 40.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.519 HG13 ' CE1' ' A' ' 112' ' ' PHE . 8.4 mm -58.77 -44.58 90.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -48.76 -35.57 14.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -51.59 -49.27 62.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 46' ' ' CYS . 15.4 mt -40.44 -30.09 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 45' ' ' LEU . 30.2 p -34.51 -40.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 46' ' ' CYS . 6.8 t -34.34 -48.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 104.62 -48.6 0.97 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -34.78 -54.91 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.401 ' HB2' ' HE2' ' A' ' 39' ' ' TYR . . . -42.62 -55.95 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -55.52 -42.28 74.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.948 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 14.4 m -61.99 -53.68 52.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.412 ' HB3' HD13 ' A' ' 35' ' ' LEU . 49.8 tt0 -51.58 -27.25 10.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -72.81 -42.99 63.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 52.9 mmm -53.17 -41.27 65.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.48 -46.36 86.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.6 ttm -59.65 -57.71 11.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.648 HD21 ' CD1' ' A' ' 122' ' ' PHE . 39.7 mt -59.69 -66.56 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.44 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 2.3 m-85 -109.51 107.21 59.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.681 0.753 . . . . 0.0 110.879 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.3 Cg_endo -69.8 141.88 46.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.75 28.01 73.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.471 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.9 p -108.58 -34.7 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.361 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.0 p -121.45 158.44 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.429 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 4.1 t-160 -111.66 98.01 7.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.9 -35.16 80.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.429 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -49.64 -38.7 33.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.404 ' O ' ' NE2' ' A' ' 80' ' ' HIS . 11.4 mtpt -82.32 -21.17 36.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 64' ' ' HIS . 81.3 t -71.58 133.19 32.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.477 ' HE2' ' CG ' ' A' ' 80' ' ' HIS . 27.7 mtmt -101.78 104.95 15.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -74.48 -41.12 61.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -82.76 40.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.02 119.59 19.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.135 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -115.25 -39.17 3.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.6 mt -78.26 164.57 24.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.514 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 2.6 tp10 -63.5 -60.53 3.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.504 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.0 p80 -45.38 -46.4 13.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.504 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 28.7 mt-10 -48.17 -43.83 31.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.514 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 21.9 m-85 -55.35 -46.75 76.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.954 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' PHE . 3.2 mp -60.24 -53.64 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.477 ' CG ' ' HE2' ' A' ' 69' ' ' LYS . 36.4 t60 -39.39 -51.32 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 81' ' ' ASN . 0.3 OUTLIER -59.87 -35.93 75.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 79' ' ' ILE . 18.9 m-85 -73.91 -33.77 64.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -55.48 -59.66 4.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.1 p -60.36 -29.2 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.5 tp -67.42 -46.6 72.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.465 ' NE2' ' HB ' ' A' ' 98' ' ' ILE . 10.3 mm-40 -48.98 -38.31 22.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.95 -37.62 77.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.085 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.99 -34.94 79.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -67.58 -51.99 43.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 91' ' ' LYS . 8.2 mmmm -64.87 -44.49 89.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 90' ' ' LYS . 40.4 mttm -33.75 -44.46 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.635 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 14.2 ptp -98.26 -45.23 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.38 30.45 0.78 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.588 HG12 ' H ' ' A' ' 96' ' ' LYS . 72.5 t -57.73 116.66 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 111.165 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -82.71 38.59 0.58 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.588 ' H ' HG12 ' A' ' 94' ' ' VAL . 21.9 tptt -126.19 99.03 5.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.0 mm -60.78 141.42 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.153 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.465 ' HB ' ' NE2' ' A' ' 86' ' ' GLN . 69.0 mt -102.79 99.11 12.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.607 0.718 . . . . 0.0 111.123 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 83.2 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.752 2.301 . . . . 0.0 112.312 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.803 ' O ' HG22 ' A' ' 104' ' ' VAL . 87.4 t -73.83 -58.28 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.088 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -41.95 -24.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 100' ' ' VAL . 14.6 mttt -102.17 -47.42 4.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 103' ' ' LEU . 14.2 mt -55.17 -48.93 73.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.962 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.803 HG22 ' O ' ' A' ' 100' ' ' VAL . 22.1 m -54.03 -27.51 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -65.54 -27.63 68.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.88 35.06 20.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 108' ' ' PHE . 34.4 mttm -71.56 97.19 1.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.826 0.346 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.596 ' CE2' ' CZ ' ' A' ' 112' ' ' PHE . 5.0 t80 -34.59 -37.47 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 107' ' ' LYS . 3.6 tp-100 -74.58 -71.0 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -45.41 -21.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.426 ' O ' HG22 ' A' ' 115' ' ' ILE . 2.4 m-80 -83.4 -41.7 17.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.596 ' CZ ' ' CE2' ' A' ' 108' ' ' PHE . 2.5 m-85 -52.11 -55.28 21.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -52.19 -42.7 63.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -63.04 -70.66 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.663 HG23 ' SD ' ' A' ' 27' ' ' MET . 7.9 tp -53.66 -27.77 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -64.52 -53.32 49.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.562 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 3.8 t90 -71.94 -31.75 66.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -56.65 -35.77 68.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.464 ' HG2' ' CD2' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -62.53 -60.27 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.47 -42.42 91.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -64.3 -24.37 67.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.648 ' CD1' HD21 ' A' ' 58' ' ' LEU . 1.6 t80 -73.92 -40.72 62.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.03 -33.57 63.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.48 -30.47 62.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.072 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.436 ' OD1' HG23 ' A' ' 10' ' ' VAL . 3.3 m-80 -105.77 -47.41 3.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -43.37 115.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 128' ' ' GLY . 10.5 t70 -114.43 77.28 1.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 127' ' ' ASP . . . 34.51 73.02 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.459 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -137.5 136.95 38.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -89.9 158.75 17.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -152.05 150.88 30.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 5.1 m120 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.76 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.821 0.343 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.595 HG23 ' OD1' ' A' ' 125' ' ' ASN . 60.6 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 24' ' ' ARG . 27.5 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.856 0.36 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 23' ' ' SER . 15.4 ptt-85 -34.58 -37.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 23' ' ' SER . 41.7 t-80 -64.38 -72.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -51.64 -48.03 63.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.411 ' HB2' HD11 ' A' ' 42' ' ' ILE . 1.8 mmt -48.67 -47.49 40.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 mt -72.35 -51.14 21.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.21 -44.21 32.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.569 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 16.3 t90 -52.62 -40.71 63.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 37' ' ' LEU . 58.9 t -80.55 -46.26 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.167 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -57.67 -12.1 2.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -111.61 -33.37 6.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 m -58.07 -66.24 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.653 HD13 ' HB3' ' A' ' 53' ' ' GLN . 6.2 mt -108.84 17.38 21.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 64.06 54.93 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.491 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.6 mm? -86.08 165.79 16.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -130.9 31.86 4.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -72.1 125.83 28.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.431 ' C ' ' HG3' ' A' ' 41' ' ' LYS . 6.3 m -92.5 -5.52 51.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.431 ' HG3' ' C ' ' A' ' 40' ' ' THR . 27.3 mtmt -151.68 143.12 23.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.57 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 6.1 mm -58.5 -33.56 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.52 -26.45 65.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -60.94 -37.09 81.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.482 HD13 HD13 ' A' ' 115' ' ' ILE . 19.5 mt -53.14 -20.57 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 23.6 p -46.34 -34.97 4.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.1 m -45.19 -39.13 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 92.17 -38.23 3.23 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -35.48 -51.72 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 111.11 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.33 -58.0 9.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -46.89 -34.92 5.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.526 ' HB3' HG21 ' A' ' 68' ' ' VAL . 37.8 m -69.2 -54.48 14.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.653 ' HB3' HD13 ' A' ' 35' ' ' LEU . 20.2 tt0 -55.11 -22.99 18.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -71.42 -43.34 66.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.1 mmm -58.84 -31.78 68.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -63.5 -45.75 89.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.6 ttp -67.78 -54.66 17.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.4 mt -61.47 -65.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.413 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 2.3 m-85 -114.23 98.46 48.54 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.639 0.733 . . . . 0.0 110.867 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.6 Cg_endo -69.73 144.27 53.61 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.355 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.1 15.37 71.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -107.3 -34.21 7.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.356 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.1 p -116.61 149.27 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.554 ' O ' HG23 ' A' ' 68' ' ' VAL . 3.1 t-160 -108.67 107.89 18.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mp -76.37 -32.97 58.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -49.15 -41.48 36.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -80.16 -20.74 44.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 64' ' ' HIS . 69.9 t -70.23 135.98 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.9 mttm -103.17 100.57 10.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -71.67 -35.62 70.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -89.53 33.51 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.448 ' HB1' ' HB3' ' A' ' 77' ' ' GLU . . . -68.97 121.31 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.053 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 73' ' ' LYS . 2.1 tmmm? -122.45 -19.55 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.6 mt -94.46 162.02 13.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.569 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 56.9 tt0 -61.54 -60.51 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.428 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.6 p80 -47.03 -40.72 15.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.448 ' HB3' ' HB1' ' A' ' 72' ' ' ALA . 25.6 mt-10 -56.36 -35.93 68.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 20.7 m-85 -62.52 -38.13 88.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.455 HG13 HG11 ' A' ' 104' ' ' VAL . 3.8 mp -71.8 -48.41 51.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -44.84 -54.28 6.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -56.72 -30.1 63.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.479 ' CD2' HG13 ' A' ' 100' ' ' VAL . 10.3 m-85 -77.75 -35.85 51.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -52.28 -62.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.7 p -57.88 -38.92 68.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.093 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 30.3 tp -59.1 -45.67 90.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.466 ' NE2' ' HB ' ' A' ' 98' ' ' ILE . 7.5 mm-40 -51.48 -44.23 62.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.61 -40.64 69.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.32 -35.49 75.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.45 ' CZ ' HD11 ' A' ' 98' ' ' ILE . 3.2 m-85 -64.22 -51.34 64.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -66.52 -41.53 88.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 90' ' ' LYS . 25.9 mttp -34.35 -36.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.76 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 12.6 ptp -107.28 -42.12 4.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 124.08 39.71 0.48 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.54 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.692 HG12 ' H ' ' A' ' 96' ' ' LYS . 41.2 t -64.78 118.42 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 111.121 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -83.36 37.57 0.57 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.692 ' H ' HG12 ' A' ' 94' ' ' VAL . 13.1 tptm -129.14 105.95 8.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 80.8 mt -66.37 140.24 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.466 ' HB ' ' NE2' ' A' ' 86' ' ' GLN . 62.4 mt -99.69 100.52 11.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 111.133 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 83.6 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.362 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.639 ' O ' HG22 ' A' ' 104' ' ' VAL . 91.0 t -75.07 -52.22 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -48.31 -23.52 0.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -102.48 -47.27 4.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 15.4 mt -53.48 -47.29 69.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 100' ' ' VAL . 26.9 m -53.3 -35.3 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -52.92 -34.15 53.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.31 3.77 64.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.515 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -45.68 106.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.329 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.587 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 2.4 t80 -44.74 -38.7 4.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.412 ' C ' ' N ' ' A' ' 111' ' ' ASN . 21.7 tp60 -67.41 -71.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.74 -21.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.437 ' O ' HG22 ' A' ' 115' ' ' ILE . 3.8 m-80 -81.35 -42.15 20.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.587 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 3.7 m-85 -56.34 -46.38 79.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -56.58 -48.4 77.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -59.49 -70.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.558 HG23 ' N ' ' A' ' 116' ' ' GLN . 9.5 tp -49.89 -46.78 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.558 ' N ' HG23 ' A' ' 115' ' ' ILE . 18.1 tp60 -48.86 -51.0 32.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.539 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 10.5 t90 -77.83 -20.6 52.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -66.95 -25.95 66.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.569 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 24.3 tptt -71.0 -60.96 1.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -57.32 -46.18 83.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.517 ' HE1' ' HB1' ' A' ' 9' ' ' ALA . 25.8 t80 -59.38 -19.82 49.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.73 ' CZ ' ' CD2' ' A' ' 126' ' ' TYR . 0.3 OUTLIER -86.34 -30.43 22.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -77.52 -34.52 53.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -52.96 -30.1 32.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.595 ' OD1' HG23 ' A' ' 10' ' ' VAL . 4.6 m-80 -108.53 -44.59 4.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.73 ' CD2' ' CZ ' ' A' ' 122' ' ' PHE . 39.3 t80 -56.97 129.95 43.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -115.17 -41.24 3.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 155.88 58.47 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.19 107.6 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.35 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.87 132.72 54.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -124.54 135.36 53.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.403 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.874 0.368 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.424 HG23 ' OD1' ' A' ' 125' ' ' ASN . 50.3 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 26' ' ' ASP . 66.4 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.895 0.378 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 23' ' ' SER . 5.3 ptt180 -34.89 -35.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 23' ' ' SER . 52.3 t-80 -65.01 -52.29 56.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 23' ' ' SER . 14.6 m-20 -68.9 -48.19 63.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.71 ' SD ' HG23 ' A' ' 115' ' ' ILE . 4.1 mmt -52.78 -46.09 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.578 HD11 ' CA ' ' A' ' 41' ' ' LYS . 26.9 mt -76.68 -50.88 12.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.67 -36.1 15.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.574 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 11.4 t90 -62.32 -44.56 96.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.507 HG12 ' HB2' ' A' ' 37' ' ' LEU . 98.3 t -74.14 -44.04 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -50.54 -25.35 4.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.8 -36.53 9.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.7 m -47.56 -75.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.594 HD22 ' HG2' ' A' ' 53' ' ' GLN . 2.3 mt -106.16 21.77 16.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 62.94 54.96 2.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.507 ' HB2' HG12 ' A' ' 31' ' ' VAL . 3.2 mm? -87.72 161.83 17.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -129.45 41.92 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -81.66 131.93 35.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.526 HG23 ' HG3' ' A' ' 41' ' ' LYS . 15.1 t -95.35 -9.31 33.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.105 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.578 ' CA ' HD11 ' A' ' 28' ' ' LEU . 22.9 mtmt -150.2 147.31 27.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.569 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 6.2 mm -55.81 -48.52 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 9.4 pt-20 -43.2 -35.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.431 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -52.31 -42.64 63.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.561 HD13 HD13 ' A' ' 115' ' ' ILE . 22.1 mt -49.99 -32.79 16.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' SER . 14.3 p -40.42 -33.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' CYS . 2.8 p -36.0 -44.53 0.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 103.81 -48.58 1.0 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.504 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 50' ' ' ALA . . . -36.9 -65.21 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.762 0.315 . . . . 0.0 111.08 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 49' ' ' ALA . . . -35.73 -66.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.067 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -42.49 -39.32 2.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 49' ' ' ALA . 7.7 m -66.97 -51.0 60.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.877 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.594 ' HG2' HD22 ' A' ' 35' ' ' LEU . 56.4 tt0 -57.67 -23.29 50.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -71.93 -42.27 66.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 27.8 mmm -58.45 -39.69 80.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -61.53 -36.91 81.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.0 ttm -69.34 -56.52 7.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' ' 125' ' ' ASN . 39.5 mt -66.67 -58.97 4.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -111.93 96.92 35.96 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.641 0.734 . . . . 0.0 110.95 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 144.62 54.71 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.706 2.27 . . . . 0.0 112.312 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.55 26.57 68.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.445 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.9 t -112.99 -35.41 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.6 p -116.48 150.78 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.552 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 6.4 t-80 -101.85 117.37 34.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.59 -31.73 18.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.552 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 13.2 mmm180 -56.54 -18.82 12.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.45 ' HG3' ' ND1' ' A' ' 64' ' ' HIS . 15.1 mttt -100.93 -9.26 21.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 55.9 t -83.41 144.2 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.561 ' HZ3' ' HG2' ' A' ' 77' ' ' GLU . 13.3 mttp -106.64 103.33 12.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -76.34 -30.51 57.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -95.63 33.57 1.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.44 132.66 48.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -129.24 -30.63 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.5 mt -83.19 166.31 18.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.581 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 14.6 tt0 -70.49 -57.52 4.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -48.47 -38.51 20.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.813 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.561 ' HG2' ' HZ3' ' A' ' 69' ' ' LYS . 27.4 mt-10 -57.58 -32.51 67.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.581 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 15.9 m-30 -62.28 -42.37 99.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.724 HG13 HG11 ' A' ' 104' ' ' VAL . 4.2 mp -67.35 -46.32 83.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -46.58 -59.01 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.91 -32.6 61.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.734 ' CD2' HG13 ' A' ' 100' ' ' VAL . 6.0 m-85 -71.77 -41.39 68.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -52.54 -71.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.5 p -44.97 -37.52 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.3 tp -66.7 -37.85 85.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -55.18 -41.26 71.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.44 -39.93 70.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.93 -36.1 74.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.49 ' CE1' HD11 ' A' ' 98' ' ' ILE . 3.3 m-85 -62.49 -54.11 44.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' MET . 62.2 mmtt -66.2 -39.24 89.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 90' ' ' LYS . 3.1 mtpm? -34.15 -35.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' LYS . 12.6 ptp -108.16 -47.16 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.845 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 135.52 29.62 0.37 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.765 HG12 ' H ' ' A' ' 96' ' ' LYS . 97.7 t -62.52 115.5 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.338 . . . . 0.0 111.161 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -84.69 26.29 0.83 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.765 ' H ' HG12 ' A' ' 94' ' ' VAL . 2.5 tmtm? -111.41 92.82 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.3 mm -60.28 129.52 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.49 HD11 ' CE1' ' A' ' 89' ' ' PHE . 52.4 mt -86.34 109.68 25.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 111.148 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 98' ' ' ILE . 54.0 Cg_endo -69.76 81.11 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.331 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.734 HG13 ' CD2' ' A' ' 82' ' ' PHE . 42.9 t -74.86 -62.6 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -40.36 -25.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 100' ' ' VAL . 16.2 mttm -99.18 -51.02 3.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 103' ' ' LEU . 12.2 mt -51.53 -50.55 59.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.724 HG11 HG13 ' A' ' 79' ' ' ILE . 22.6 m -51.66 -35.27 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -50.47 -43.3 55.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 107' ' ' LYS . . . 106.88 -14.26 41.25 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.492 ' N ' ' HD2' ' A' ' 107' ' ' LYS . 5.9 mptt -34.18 121.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.569 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 2.4 t80 -60.95 -21.24 63.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 111' ' ' ASN . 3.6 tp-100 -84.18 -71.06 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.55 -23.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 109' ' ' GLN . 4.0 m-80 -81.46 -46.53 14.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.568 ' CE1' HG13 ' A' ' 42' ' ' ILE . 3.3 m-85 -52.32 -50.78 61.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -52.31 -38.47 58.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -73.48 -69.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.71 HG23 ' SD ' ' A' ' 27' ' ' MET . 10.1 tp -52.54 -25.57 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 5.1 tp-100 -68.81 -46.06 69.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.567 ' CZ2' ' HG3' ' A' ' 96' ' ' LYS . 5.1 t90 -78.06 -31.25 50.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -57.65 -27.47 62.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.574 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 17.6 tptm -63.04 -68.28 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.4 pttt -54.83 -44.02 73.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -56.01 -34.94 66.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.4 ' CD1' HD21 ' A' ' 58' ' ' LEU . 1.2 t80 -67.72 -38.67 83.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -71.22 -38.78 71.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.58 -32.25 18.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.491 ' HB2' HD22 ' A' ' 58' ' ' LEU . 1.6 m-80 -102.32 -45.71 5.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -63.93 129.5 40.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.06 -40.37 3.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 160.2 41.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.505 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -90.41 176.88 6.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.99 133.36 55.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -136.9 145.95 44.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.955 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 4.1 m120 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 110.912 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.725 ' HB2' HG22 ' A' ' 94' ' ' VAL . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.872 0.367 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.5 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.143 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.824 0.345 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -40.07 -43.44 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -55.32 -71.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 29' ' ' ALA . 84.7 m-20 -52.66 -58.3 7.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.7 mmt -40.93 -42.41 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.9 mt -81.31 -29.34 34.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -67.79 -39.52 84.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.05 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.561 ' CD1' ' HE3' ' A' ' 119' ' ' LYS . 26.4 t90 -62.14 -38.18 88.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.5 t -81.88 -42.34 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -62.01 -20.59 64.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.57 -22.02 14.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.6 m -73.4 -63.52 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.671 HD11 ' CD2' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -114.53 39.28 2.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.444 ' ND1' ' C ' ' A' ' 35' ' ' LEU . 25.1 p-80 40.83 54.34 3.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.522 ' HA ' HD13 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -81.56 154.89 25.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -123.13 36.19 4.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -75.59 125.0 28.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 40' ' ' THR . 29.5 m -88.64 -11.49 45.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -150.97 153.58 35.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.506 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 3.6 mm -63.44 -31.24 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.402 ' O ' ' SG ' ' A' ' 46' ' ' CYS . 6.2 pt-20 -62.69 -25.83 68.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -64.18 -37.2 86.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 46' ' ' CYS . 21.1 mt -49.34 -31.68 9.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 47' ' ' SER . 31.8 p -36.61 -35.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.504 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 79.3 p -31.58 -51.58 0.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.96 -36.26 4.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.411 ' HA ' HG13 ' A' ' 68' ' ' VAL . . . -52.01 -56.53 13.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.777 0.322 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -40.49 -58.39 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -49.16 -39.45 29.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.3 m -63.19 -60.13 3.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.62 ' HB3' HD13 ' A' ' 35' ' ' LEU . 14.6 tp60 -46.06 -25.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.671 ' CD2' HD11 ' A' ' 35' ' ' LEU . 7.6 m-85 -75.13 -47.47 28.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.465 ' HG3' ' CD1' ' A' ' 85' ' ' LEU . 75.8 mmm -46.13 -46.78 17.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.52 -45.47 93.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.564 ' HA ' ' CD2' ' A' ' 131' ' ' TYR . 4.0 ttm -54.19 -60.55 3.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.49 -58.65 7.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -118.57 108.85 40.81 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.656 0.741 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.89 46.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.267 . . . . 0.0 112.389 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.92 29.51 73.64 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.9 p -111.49 -31.84 6.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.86 0.362 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 p -124.1 162.51 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 66' ' ' ARG . 3.1 t-160 -113.18 95.7 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.484 HD11 ' HA ' ' A' ' 53' ' ' GLN . 1.8 mp -62.95 -29.69 70.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.559 ' HB2' ' CD2' ' A' ' 64' ' ' HIS . 7.0 mpt_? -58.75 -38.51 78.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.419 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 0.7 OUTLIER -84.3 -15.47 46.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.411 HG13 ' HA ' ' A' ' 49' ' ' ALA . 29.0 t -66.34 129.9 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.519 ' HE3' ' CD2' ' A' ' 80' ' ' HIS . 19.8 mmtp -90.36 93.09 9.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -78.09 -34.43 50.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -100.25 31.81 3.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.11 122.19 14.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.056 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -115.67 -35.93 4.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.2 mt -82.65 168.77 16.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 24.9 tt0 -66.39 -57.83 6.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.414 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 2.7 p80 -49.45 -39.4 33.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.414 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 26.6 mt-10 -57.96 -33.3 68.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.573 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 23.1 m-85 -61.8 -39.7 92.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 82' ' ' PHE . 4.7 mp -72.95 -48.5 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.519 ' CD2' ' HE3' ' A' ' 69' ' ' LYS . 24.8 t60 -33.81 -60.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 47' ' ' SER . 18.7 p30 -51.94 -41.9 62.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.7 ' CD2' HG13 ' A' ' 100' ' ' VAL . 8.1 m-85 -65.13 -36.39 84.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -56.02 -61.26 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.5 p -59.07 -31.17 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.465 ' CD1' ' HG3' ' A' ' 55' ' ' MET . 38.6 tp -68.42 -47.75 66.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -48.88 -35.62 15.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.12 -44.14 96.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.41 -28.9 69.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -69.24 -52.39 28.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 91' ' ' LYS . 43.3 mmtt -69.31 -39.89 77.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 90' ' ' LYS . 34.4 mttm -34.69 -52.87 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 3.7 ptm -88.84 -48.28 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.33 51.29 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.725 HG22 ' HB2' ' A' ' 9' ' ' ALA . 57.4 t -80.98 117.13 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 111.152 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -82.19 37.47 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.565 ' HG2' ' CH2' ' A' ' 117' ' ' TRP . 31.8 tptt -124.54 109.21 12.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 23.2 mm -68.93 142.07 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 70.4 mt -103.43 96.84 9.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.686 0.755 . . . . 0.0 111.172 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 82.46 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.672 2.248 . . . . 0.0 112.371 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.7 HG13 ' CD2' ' A' ' 82' ' ' PHE . 61.1 t -71.46 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.109 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -41.6 -24.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 100' ' ' VAL . 12.0 mttt -99.69 -45.12 5.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.416 HD11 ' CD1' ' A' ' 114' ' ' PHE . 15.8 mt -57.73 -47.43 82.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 100' ' ' VAL . 28.3 m -53.31 -26.57 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.19 -34.33 77.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.53 34.59 13.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.44 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -74.66 104.91 5.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.663 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 2.8 t80 -39.9 -34.94 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.502 ' C ' ' CD ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -71.05 -72.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -48.76 -21.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.496 ' O ' HG22 ' A' ' 115' ' ' ILE . 7.5 m-80 -79.39 -50.03 11.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.663 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 2.5 m-85 -46.34 -48.36 18.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -55.11 -61.73 2.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.416 ' CD1' HD11 ' A' ' 103' ' ' LEU . 5.4 t80 -43.35 -71.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.496 HG22 ' O ' ' A' ' 111' ' ' ASN . 5.7 tp -51.7 -42.12 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.152 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.504 ' CG ' ' O ' ' A' ' 112' ' ' PHE . 33.5 mm-40 -52.74 -61.01 2.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.565 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 7.9 t90 -62.91 -29.99 71.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.4 ' HE2' ' CD2' ' A' ' 54' ' ' PHE . 1.6 t80 -58.82 -34.22 71.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.561 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 22.3 tptm -60.75 -62.9 1.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -57.31 -45.27 84.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -57.33 -29.05 63.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.415 ' O ' ' CB ' ' A' ' 126' ' ' TYR . 0.7 OUTLIER -73.08 -41.31 64.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -71.79 -32.03 67.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -55.25 -39.49 69.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.064 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -100.52 -46.92 5.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.415 ' CB ' ' O ' ' A' ' 122' ' ' PHE . 65.5 t80 -52.94 109.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -105.29 40.24 1.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 67.32 54.14 21.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 11.3 ptmm? -112.28 100.49 8.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.757 0.313 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -40.2 138.81 0.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.842 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.564 ' CD2' ' HA ' ' A' ' 57' ' ' MET . 33.8 t80 -150.59 114.11 4.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.622 0.725 . . . . 0.0 110.905 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.815 0.34 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.665 HG23 ' OD1' ' A' ' 125' ' ' ASN . 60.3 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 24' ' ' ARG . 6.7 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.843 0.354 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 23' ' ' SER . 4.9 ttt-85 -35.02 -40.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -58.9 -70.04 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 27' ' ' MET . 36.1 m-20 -50.07 -61.73 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' ASP . 3.4 mmt -36.44 -50.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.645 HD11 ' HA ' ' A' ' 41' ' ' LYS . 24.7 mt -69.91 -46.74 64.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.07 -46.2 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.579 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 14.3 t90 -52.44 -46.01 66.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -72.37 -45.2 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.076 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -61.14 -14.6 25.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -109.62 -31.45 7.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.7 m -58.62 -63.05 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.609 HD22 ' HG2' ' A' ' 53' ' ' GLN . 3.1 mt -113.49 18.15 17.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 63.89 53.71 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.492 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.5 mm? -85.61 158.62 20.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -119.22 34.03 5.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -76.85 123.61 26.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.9 m -93.18 -8.77 41.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.645 ' HA ' HD11 ' A' ' 28' ' ' LEU . 60.0 mttp -148.8 146.51 28.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.473 HG13 ' CE1' ' A' ' 112' ' ' PHE . 4.8 mm -58.04 -49.62 80.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -44.19 -33.39 1.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -56.52 -47.19 79.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 46' ' ' CYS . 19.1 mt -39.63 -29.34 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 47' ' ' SER . 30.1 p -37.4 -40.08 0.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' CYS . 13.1 m -35.09 -46.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 97.73 -44.12 1.87 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -34.29 -42.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.783 0.325 . . . . 0.0 111.078 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.52 -60.57 3.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -47.58 -43.19 25.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.448 ' HB3' HG21 ' A' ' 68' ' ' VAL . 4.0 m -61.01 -49.37 77.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.609 ' HG2' HD22 ' A' ' 35' ' ' LEU . 55.9 tt0 -61.92 -23.06 66.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -72.88 -48.05 40.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 44.6 mmm -49.05 -37.74 21.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.77 -55.74 20.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.519 ' HG3' ' CG ' ' A' ' 131' ' ' TYR . 4.4 ttm -51.16 -57.58 8.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.5 -57.21 10.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -118.74 96.87 50.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.67 0.748 . . . . 0.0 110.907 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.6 Cg_endo -69.72 142.37 47.96 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.97 20.54 78.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.0 m -111.13 -34.28 6.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.852 0.358 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.9 p -116.78 154.0 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.526 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 4.5 t-160 -107.71 104.16 13.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 mp -73.57 -18.93 61.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.526 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 2.4 tpt180 -63.59 -38.05 89.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -84.62 -15.57 45.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.448 HG21 ' HB3' ' A' ' 52' ' ' CYS . 61.0 t -74.54 129.22 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.136 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.464 ' HE2' ' CD2' ' A' ' 80' ' ' HIS . 29.3 mttm -98.23 101.84 13.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -73.08 -36.76 66.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -86.54 39.8 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.74 131.39 38.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -130.79 -33.48 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.9 mt -80.85 164.18 22.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.578 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 15.4 tp10 -63.26 -61.74 2.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.422 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.7 p80 -47.07 -40.73 15.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.422 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 17.8 mt-10 -55.36 -32.65 62.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.578 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.0 m-85 -63.79 -43.81 95.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.832 HG13 HG11 ' A' ' 104' ' ' VAL . 4.1 mp -65.67 -50.64 70.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.464 ' CD2' ' HE2' ' A' ' 69' ' ' LYS . 28.0 t60 -40.32 -57.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.74 -31.99 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' ILE . 8.9 m-85 -75.36 -30.63 60.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -56.99 -64.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.9 p -55.97 -36.03 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.8 tp -59.86 -48.97 79.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.49 ' O ' ' CD ' ' A' ' 90' ' ' LYS . 11.4 mm-40 -49.55 -40.94 40.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.77 -41.11 77.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.417 ' O ' ' SD ' ' A' ' 92' ' ' MET . . . -62.48 -32.22 73.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -64.95 -41.48 95.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -75.02 -33.72 61.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -38.9 -33.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.417 ' SD ' ' O ' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -109.84 -35.93 6.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.873 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.18 39.56 0.68 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.456 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.618 HG12 ' H ' ' A' ' 96' ' ' LYS . 79.9 t -66.95 115.91 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -84.01 36.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.618 ' H ' HG12 ' A' ' 94' ' ' VAL . 14.8 tptt -126.07 102.37 7.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.8 mm -67.36 126.3 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.413 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 46.2 mt -82.11 111.01 23.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 111.083 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 98' ' ' ILE . 54.1 Cg_endo -69.75 81.94 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.409 ' CG1' HG13 ' A' ' 79' ' ' ILE . 97.4 t -74.82 -59.33 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -44.09 -22.48 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 100' ' ' VAL . 14.4 mttt -100.63 -50.13 3.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.6 mt -52.97 -47.11 68.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.832 HG11 HG13 ' A' ' 79' ' ' ILE . 17.6 m -54.68 -25.81 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -65.32 -30.87 71.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.31 23.8 46.43 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 108.94 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.59 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 2.1 t80 -44.2 -35.36 2.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -71.73 -70.75 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -48.22 -20.45 0.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.47 ' O ' HG22 ' A' ' 115' ' ' ILE . 2.5 m-80 -82.81 -42.0 18.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.59 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 2.9 m-85 -55.03 -50.34 69.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -54.96 -59.53 4.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -45.45 -70.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.548 HG23 ' N ' ' A' ' 116' ' ' GLN . 10.1 tp -50.35 -46.23 25.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.548 ' N ' HG23 ' A' ' 115' ' ' ILE . 13.3 mm-40 -48.37 -57.85 5.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -66.87 -28.78 68.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -60.72 -28.88 68.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.579 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 22.5 tptp -63.9 -61.58 2.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -58.54 -43.56 89.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -63.72 -22.4 66.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.494 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -77.9 -44.17 27.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.415 ' N ' ' CD1' ' A' ' 122' ' ' PHE . 14.2 t70 -73.11 -20.91 60.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.79 -27.03 68.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.665 ' OD1' HG23 ' A' ' 10' ' ' VAL . 20.7 m-80 -117.02 -40.05 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.83 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.569 ' CE2' ' HA2' ' A' ' 128' ' ' GLY . 29.3 t80 -34.09 -66.06 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 59.26 37.5 23.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.569 ' HA2' ' CE2' ' A' ' 126' ' ' TYR . . . 54.5 49.96 58.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 129' ' ' LYS . 5.5 ptmt -95.31 113.06 24.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.37 133.84 34.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.519 ' CG ' ' HG3' ' A' ' 57' ' ' MET . 56.2 t80 -157.25 129.15 7.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.634 0.731 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.524 ' CB ' HG22 ' A' ' 94' ' ' VAL . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.824 0.345 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.441 HG23 ' OD1' ' A' ' 125' ' ' ASN . 89.1 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.17 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 25' ' ' HIS . 7.3 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.928 0.394 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.09 -25.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' SER . 51.6 t60 -72.51 -56.33 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -67.19 -54.02 24.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.592 ' HB2' HD11 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -45.51 -40.69 8.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.401 ' HG ' HD13 ' A' ' 42' ' ' ILE . 20.0 mt -81.24 -46.75 14.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.36 -35.97 41.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.537 ' CD2' ' HD2' ' A' ' 119' ' ' LYS . 18.0 t90 -62.99 -41.06 99.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.521 HG12 ' CG ' ' A' ' 37' ' ' LEU . 66.4 t -78.4 -39.53 24.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -65.22 -12.38 50.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -112.84 -38.49 4.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.7 m -53.94 -58.55 6.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.495 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 2.8 mt -116.1 16.93 15.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 62.59 53.2 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.522 HD12 ' CE2' ' A' ' 39' ' ' TYR . 3.2 mm? -83.07 165.1 19.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -127.93 38.82 3.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.522 ' CE2' HD12 ' A' ' 37' ' ' LEU . 25.0 m-85 -85.86 128.38 34.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 42.2 p -102.42 -3.39 27.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.137 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -145.76 130.59 18.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.592 HD11 ' HB2' ' A' ' 27' ' ' MET . 7.3 mm -48.48 -39.81 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.22 -41.42 62.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' CYS . 10.4 mm100 -46.36 -50.18 16.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.44 HD13 HD13 ' A' ' 115' ' ' ILE . 14.4 mt -40.0 -27.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 47' ' ' SER . 27.7 p -39.3 -40.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' CYS . 20.4 t -34.3 -49.61 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 103.71 -48.43 1.01 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -34.22 -45.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.344 . . . . 0.0 111.076 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.08 -64.27 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -46.6 -36.3 6.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.2 m -64.92 -58.83 5.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.476 ' HA ' HD11 ' A' ' 65' ' ' LEU . 36.6 tt0 -51.6 -25.36 6.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -69.26 -45.91 68.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 29.0 mmm -48.64 -37.81 19.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -68.07 -41.57 81.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 8.4 tpp -59.14 -53.49 57.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.716 HD21 ' CD2' ' A' ' 122' ' ' PHE . 9.9 mt -75.18 -66.96 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 2.7 m-85 -104.09 95.82 8.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.684 0.754 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.74 142.77 48.92 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.97 23.25 78.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.528 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.4 m -113.01 -27.97 7.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 0.0 110.88 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.9 p -121.73 152.27 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.423 ' O ' HG23 ' A' ' 68' ' ' VAL . 4.9 t-160 -109.59 97.04 6.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.476 HD11 ' HA ' ' A' ' 53' ' ' GLN . 3.3 mp -66.19 -35.86 81.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -49.43 -42.68 43.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.824 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -79.08 -14.0 59.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 64' ' ' HIS . 61.6 t -80.55 143.49 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.585 ' HD2' ' CD2' ' A' ' 80' ' ' HIS . 3.4 mtpm? -108.51 105.27 14.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -73.4 -41.96 62.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -82.29 39.75 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.17 127.37 32.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 7.2 tmtm? -126.73 -36.06 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.6 mt -78.53 161.79 26.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.446 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 34.4 tt0 -62.56 -63.11 1.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.419 ' NE2' ' HG3' ' A' ' 77' ' ' GLU . 5.4 p80 -45.8 -39.01 7.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.419 ' HG3' ' NE2' ' A' ' 76' ' ' HIS . 48.1 mt-10 -57.66 -38.76 75.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.446 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.4 m-85 -59.64 -39.59 84.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 82' ' ' PHE . 3.5 mp -67.08 -55.34 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.585 ' CD2' ' HD2' ' A' ' 69' ' ' LYS . 80.9 t60 -40.12 -51.09 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.98 -36.23 67.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.456 ' CG ' HG22 ' A' ' 100' ' ' VAL . 15.5 m-85 -77.31 -33.88 55.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -52.01 -60.17 3.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.1 p -61.9 -32.84 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.7 tp -65.16 -41.45 94.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.402 ' NE2' ' HB ' ' A' ' 98' ' ' ILE . 8.1 mm-40 -52.47 -37.33 56.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.04 -40.69 94.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.36 -34.16 74.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -65.77 -54.14 31.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 91' ' ' LYS . 66.5 mmtt -66.54 -44.39 82.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 90' ' ' LYS . 25.4 mttp -33.53 -57.84 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.471 ' CG ' HG23 ' A' ' 94' ' ' VAL . 5.4 ptm -76.89 -46.71 23.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.92 37.93 0.34 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.561 HG12 ' H ' ' A' ' 96' ' ' LYS . 67.1 t -73.19 123.45 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.354 . . . . 0.0 111.144 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -90.89 36.98 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.561 ' H ' HG12 ' A' ' 94' ' ' VAL . 50.7 tptt -123.92 111.36 15.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 82.3 mt -68.37 145.76 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.404 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 69.7 mt -105.39 101.07 29.29 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.727 . . . . 0.0 111.184 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 98' ' ' ILE . 53.6 Cg_endo -69.73 79.73 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.732 2.288 . . . . 0.0 112.312 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.456 HG22 ' CG ' ' A' ' 82' ' ' PHE . 97.2 t -70.75 -53.73 20.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -49.59 -29.84 7.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -95.48 -35.48 11.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 103' ' ' LEU . 11.6 mt -63.99 -52.35 59.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.2 m -51.43 -28.47 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -56.89 -28.99 62.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 78.37 32.93 41.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.458 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 109' ' ' GLN . 60.6 mmtt -76.06 103.33 6.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.333 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.539 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 3.0 t80 -37.48 -32.75 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 107' ' ' LYS . 5.8 tp60 -75.51 -70.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -47.06 -21.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.452 ' O ' HG22 ' A' ' 115' ' ' ILE . 3.7 m-80 -81.94 -42.88 18.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.545 ' CE1' HG13 ' A' ' 42' ' ' ILE . 1.9 m-85 -53.2 -47.75 68.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -55.46 -48.55 74.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -60.06 -70.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.452 HG22 ' O ' ' A' ' 111' ' ' ASN . 9.6 tp -51.13 -35.81 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.495 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 4.0 tp-100 -57.55 -57.29 13.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.486 ' HA ' ' CD ' ' A' ' 120' ' ' LYS . 18.3 t90 -71.8 -21.91 61.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -64.98 -31.09 72.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.537 ' HD2' ' CD2' ' A' ' 30' ' ' TRP . 17.5 tptm -71.45 -55.86 7.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.486 ' CD ' ' HA ' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -59.7 -39.84 85.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.917 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -68.9 -32.99 73.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.716 ' CD2' HD21 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -70.02 -36.26 74.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -76.02 -37.74 58.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -55.19 -33.68 63.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.092 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.441 ' OD1' HG23 ' A' ' 10' ' ' VAL . 24.4 m-80 -98.02 -47.95 5.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -41.29 144.46 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -130.48 -44.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 143.47 72.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.81 145.7 49.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -80.3 132.24 35.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -137.74 140.07 40.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.8 m120 . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.57 0.7 . . . . 0.0 110.913 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.668 ' CB ' HG22 ' A' ' 94' ' ' VAL . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.881 0.372 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.835 0.35 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.452 ' HA ' HD11 ' A' ' 42' ' ' ILE . 13.3 ptt180 -43.0 -43.76 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -63.89 -70.83 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.441 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 74.2 m-20 -45.49 -66.43 0.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.6 mtp -41.57 -54.99 3.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.497 ' O ' ' ND2' ' A' ' 32' ' ' ASN . 42.7 mt -56.46 -29.77 62.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 26' ' ' ASP . . . -71.76 -41.2 68.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.061 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.579 ' CE3' ' HG2' ' A' ' 119' ' ' LYS . 16.7 t90 -62.21 -51.19 68.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.475 HG23 ' CE3' ' A' ' 30' ' ' TRP . 99.4 t -68.56 -32.57 55.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 28' ' ' LEU . 77.4 m-20 -70.47 -15.98 62.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -109.63 -23.51 11.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -67.03 -66.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.526 HD11 ' CD2' ' A' ' 54' ' ' PHE . 0.9 OUTLIER -107.84 19.09 20.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 62.65 54.93 2.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.483 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 1.3 mm? -89.05 161.74 16.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -131.14 43.75 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -82.02 121.98 27.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.628 HG23 ' HG3' ' A' ' 41' ' ' LYS . 9.5 t -88.15 -12.4 44.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.189 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.628 ' HG3' HG23 ' A' ' 40' ' ' THR . 6.6 mtpm? -148.04 140.82 24.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.466 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 4.6 mm -51.0 -47.38 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -44.18 -37.17 3.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' CYS . 10.8 mm100 -50.19 -49.06 53.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.627 HD13 HD13 ' A' ' 115' ' ' ILE . 21.9 mt -41.94 -23.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' GLN . 23.0 p -47.59 -38.41 14.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' CYS . 68.5 p -34.18 -47.9 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.7 -37.29 3.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.458 ' HA ' ' CG1' ' A' ' 68' ' ' VAL . . . -44.61 -50.8 9.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.762 0.315 . . . . 0.0 111.075 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.7 -66.1 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.07 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -42.63 -33.46 0.72 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.442 ' HA ' HD13 ' A' ' 85' ' ' LEU . 36.9 m -71.46 -50.64 29.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -54.85 -25.31 27.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.526 ' CD2' HD11 ' A' ' 35' ' ' LEU . 11.8 m-85 -70.73 -48.89 52.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 69.3 mmm -50.81 -35.79 34.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -66.51 -48.1 70.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.4 ttm -57.55 -59.36 5.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.9 mt -64.92 -62.31 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.528 ' CZ ' ' HE1' ' A' ' 92' ' ' MET . 2.1 m-85 -107.96 96.43 17.65 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.679 0.752 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 54.3 Cg_endo -69.75 144.11 53.02 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.244 . . . . 0.0 112.339 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.86 28.63 72.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 23.0 m -116.88 -26.56 6.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.564 HG13 HD13 ' A' ' 65' ' ' LEU . 8.5 p -123.22 148.97 26.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.507 ' HB3' HG21 ' A' ' 84' ' ' VAL . 4.3 t-80 -104.32 93.81 5.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.564 HD13 HG13 ' A' ' 63' ' ' VAL . 3.9 mp -67.81 -27.94 67.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -39.61 73.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.499 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 10.6 mtpt -83.32 -13.33 55.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.458 ' CG1' ' HA ' ' A' ' 49' ' ' ALA . 66.8 t -79.39 134.33 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 1.5 mtpt -88.24 107.44 18.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -80.41 -24.95 39.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -109.94 36.27 3.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.44 130.03 34.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 pttm -127.16 -36.61 2.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.3 mt -87.43 169.74 11.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.581 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 34.7 tt0 -68.53 -53.66 21.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -54.25 -28.9 44.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -70.43 -23.98 62.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.581 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 20.8 m-85 -72.47 -31.0 65.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.586 HG13 HG11 ' A' ' 104' ' ' VAL . 5.2 mp -83.06 -37.47 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.499 ' CD2' ' O ' ' A' ' 67' ' ' LYS . 77.1 t60 -46.72 -62.25 1.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -53.35 -33.58 54.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.796 ' CD2' HG13 ' A' ' 100' ' ' VAL . 4.5 m-85 -72.85 -34.17 66.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -56.37 -69.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.507 HG21 ' HB3' ' A' ' 64' ' ' HIS . 7.1 p -52.35 -36.13 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 52' ' ' CYS . 27.4 tp -60.94 -46.2 91.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.424 ' NE2' ' HB ' ' A' ' 98' ' ' ILE . 12.3 mm-40 -51.05 -36.52 40.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.12 -44.78 96.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.78 -35.05 68.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.066 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.421 ' O ' HG23 ' A' ' 94' ' ' VAL . 2.7 m-85 -60.22 -56.23 24.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 91' ' ' LYS . 0.6 OUTLIER -66.81 -40.02 87.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 90' ' ' LYS . 4.6 mtpm? -35.2 -50.55 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.528 ' HE1' ' CZ ' ' A' ' 59' ' ' PHE . 4.7 ptm -88.15 -46.09 9.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 134.81 47.07 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.668 HG22 ' CB ' ' A' ' 9' ' ' ALA . 38.4 t -91.35 114.44 28.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 111.159 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.26 29.53 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.573 ' H ' HG12 ' A' ' 94' ' ' VAL . 6.5 tmtt? -106.13 105.12 15.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.8 mm -66.37 131.32 32.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.424 ' HB ' ' NE2' ' A' ' 86' ' ' GLN . 80.2 mt -93.11 107.09 22.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.738 . . . . 0.0 111.15 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 98' ' ' ILE . 53.5 Cg_endo -69.74 82.54 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.796 HG13 ' CD2' ' A' ' 82' ' ' PHE . 25.7 t -74.62 -62.87 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -40.64 -25.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 100' ' ' VAL . 19.8 mttt -97.92 -50.52 4.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.0 mt -52.61 -48.73 66.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.586 HG11 HG13 ' A' ' 79' ' ' ILE . 25.1 m -52.97 -37.36 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -53.37 -23.58 9.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.17 36.46 60.17 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 109' ' ' GLN . 6.4 mmmm -78.15 101.01 6.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.515 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 2.5 t80 -35.27 -31.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 107' ' ' LYS . 2.9 tm0? -76.64 -72.55 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.33 -22.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 109' ' ' GLN . 2.7 m-80 -81.58 -47.91 12.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.515 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 2.8 m-85 -48.73 -49.17 39.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -56.72 -44.71 81.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -60.77 -70.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.627 HD13 HD13 ' A' ' 45' ' ' LEU . 8.8 tp -51.9 -38.67 23.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.449 ' CG ' ' O ' ' A' ' 112' ' ' PHE . 4.5 mm100 -46.72 -50.35 18.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.452 ' CH2' ' HG3' ' A' ' 96' ' ' LYS . 11.2 t90 -81.62 -39.64 24.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -47.27 -41.94 19.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.579 ' HG2' ' CE3' ' A' ' 30' ' ' TRP . 1.8 tmtt? -55.41 -40.52 71.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -71.87 -44.89 63.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -51.55 -28.71 14.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.586 ' CE1' ' CD2' ' A' ' 126' ' ' TYR . 5.1 t80 -73.24 -43.44 61.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -75.13 -25.99 58.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.45 -32.43 73.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -108.27 -48.13 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.586 ' CD2' ' CE1' ' A' ' 122' ' ' PHE . 19.2 t80 -54.32 101.62 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -86.21 -44.79 11.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 162.31 50.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.28 147.63 31.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -88.05 144.95 26.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -143.32 155.28 44.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 4.6 m120 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.71 . . . . 0.0 110.889 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.71 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.882 0.372 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.409 ' O ' HG12 ' A' ' 10' ' ' VAL . 76.9 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 24' ' ' ARG . 6.3 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.893 0.378 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 23' ' ' SER . 20.7 ptt180 -36.73 -49.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 26' ' ' ASP . 22.3 t60 -59.34 -69.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.431 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 5.9 m-20 -37.13 -63.54 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' TRP . 5.0 mtp -48.44 -66.35 0.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.614 HD11 ' HA ' ' A' ' 41' ' ' LYS . 23.8 mt -43.45 -31.19 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 26' ' ' ASP . . . -75.88 -36.06 59.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.108 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.54 ' CE3' ' HD3' ' A' ' 119' ' ' LYS . 3.1 t90 -67.47 -51.48 50.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.4 t -67.94 -34.61 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.444 ' CG ' ' O ' ' A' ' 28' ' ' LEU . 79.6 m-20 -64.39 -22.53 66.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -105.35 -17.93 14.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.1 m -72.77 -65.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.576 HD11 ' CD2' ' A' ' 54' ' ' PHE . 3.2 mt -105.61 16.51 25.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 63.41 55.03 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.51 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 1.1 mm? -90.96 161.27 15.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -129.39 43.22 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -84.7 129.94 34.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.552 HG23 ' HG3' ' A' ' 41' ' ' LYS . 14.5 t -95.91 -5.93 40.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.162 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.614 ' HA ' HD11 ' A' ' 28' ' ' LEU . 37.2 mttm -155.25 140.18 17.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.505 HG13 ' CE1' ' A' ' 112' ' ' PHE . 4.9 mm -49.34 -47.66 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -42.97 -38.22 2.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' CYS . 12.8 mm100 -51.17 -47.94 62.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 46' ' ' CYS . 14.4 mt -39.67 -27.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' GLN . 29.0 p -37.56 -38.73 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.448 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 5.0 t -38.57 -46.51 1.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 94.82 -42.61 2.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.21 -42.03 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.771 0.32 . . . . 0.0 111.061 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.71 -53.76 54.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -51.46 -35.81 41.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.44 ' HA ' HD13 ' A' ' 85' ' ' LEU . 46.3 m -64.57 -55.57 19.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.471 ' HG2' HD22 ' A' ' 35' ' ' LEU . 15.6 tt0 -52.41 -28.97 22.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.915 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.576 ' CD2' HD11 ' A' ' 35' ' ' LEU . 9.3 m-85 -67.46 -33.88 76.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 84.0 mmm -68.13 -29.81 68.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -79.47 -38.66 34.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.1 ptm -68.22 -38.82 82.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.471 HD21 ' CD2' ' A' ' 122' ' ' PHE . 21.8 mt -84.13 -60.59 2.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.492 ' CG ' ' HE1' ' A' ' 92' ' ' MET . 0.2 OUTLIER -113.32 98.75 47.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.662 0.744 . . . . 0.0 110.911 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.75 143.77 51.95 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.369 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.63 24.49 76.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.513 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.7 m -115.5 -34.84 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.3 p -119.03 151.06 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -111.03 98.52 7.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.42 HD21 ' HG3' ' A' ' 53' ' ' GLN . 4.1 mp -66.54 -27.85 68.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -42.87 65.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.14 -13.31 59.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.6 t -81.65 143.62 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.169 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -107.8 107.31 18.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -76.15 -37.94 57.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -86.35 33.48 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.59 131.11 46.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.79 -32.94 1.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 76.4 mt -80.5 168.42 18.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.407 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 38.3 tt0 -70.41 -57.38 4.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -53.41 -32.61 50.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -61.84 -36.37 81.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.448 ' CD1' ' HA ' ' A' ' 47' ' ' SER . 24.0 m-85 -63.99 -37.64 88.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.539 ' CD1' HG11 ' A' ' 104' ' ' VAL . 3.5 mp -69.47 -49.37 60.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -46.88 -54.41 10.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.96 -32.92 48.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.589 ' CG ' HG22 ' A' ' 100' ' ' VAL . 12.4 m-85 -74.96 -41.59 59.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -44.91 -63.69 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.2 p -56.68 -39.06 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 52' ' ' CYS . 22.1 tp -58.59 -43.09 89.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -55.05 -38.14 67.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.64 -43.95 85.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.81 -35.44 72.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -62.31 -56.85 14.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 91' ' ' LYS . 43.6 mmtm -64.25 -42.24 96.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 90' ' ' LYS . 9.2 mtpp -37.58 -45.67 0.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.71 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 10.7 ptp -89.01 -48.05 7.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.417 ' N ' ' HG3' ' A' ' 92' ' ' MET . . . 134.67 30.78 0.37 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.5 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.695 HG12 ' H ' ' A' ' 96' ' ' LYS . 62.1 t -71.94 117.07 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.119 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -87.79 27.28 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.695 ' H ' HG12 ' A' ' 94' ' ' VAL . 4.0 tmtm? -108.74 107.42 17.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.473 ' H ' HD12 ' A' ' 97' ' ' ILE . 5.0 mp -69.0 140.13 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.419 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 70.5 mt -99.54 107.29 44.71 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.618 0.723 . . . . 0.0 111.111 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 98' ' ' ILE . 53.4 Cg_endo -69.76 78.91 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.712 2.275 . . . . 0.0 112.31 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.589 HG22 ' CG ' ' A' ' 82' ' ' PHE . 32.4 t -66.61 -71.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 100' ' ' VAL . 2.3 mm-40 -31.11 -37.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 100' ' ' VAL . 16.7 mmtt -83.66 -60.35 2.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.3 mt -42.74 -53.96 4.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.539 HG11 ' CD1' ' A' ' 79' ' ' ILE . 35.8 m -43.53 -45.98 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.513 ' N ' HG23 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -49.87 -38.17 34.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.54 27.9 18.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 109' ' ' GLN . 8.3 mtpm? -64.29 102.08 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.834 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.497 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 3.3 t80 -37.76 -28.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 107' ' ' LYS . 6.6 tp60 -80.83 -70.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -46.36 -20.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 109' ' ' GLN . 3.4 m-80 -83.95 -40.68 18.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.505 ' CE1' HG13 ' A' ' 42' ' ' ILE . 3.4 m-85 -55.58 -47.85 75.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -55.22 -42.5 73.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -66.1 -69.02 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 9.0 tp -53.5 -30.09 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.487 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 6.5 tp60 -60.15 -50.65 72.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.491 ' HA ' ' CD ' ' A' ' 120' ' ' LYS . 3.6 t90 -84.4 -14.91 48.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -68.14 -31.42 70.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.54 ' HD3' ' CE3' ' A' ' 30' ' ' TRP . 16.8 tptp -70.56 -58.05 4.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.491 ' CD ' ' HA ' ' A' ' 117' ' ' TRP . 4.3 ptmt -54.35 -41.86 69.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.462 ' HE1' ' HB1' ' A' ' 9' ' ' ALA . 38.9 t80 -67.08 -33.57 75.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.471 ' CD2' HD21 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -64.21 -42.83 96.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -75.47 -30.77 60.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.811 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.19 -23.19 62.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -114.52 -45.65 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.509 ' CE2' ' HA2' ' A' ' 128' ' ' GLY . 61.6 t80 -44.11 107.45 0.09 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -78.23 -45.11 23.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.509 ' HA2' ' CE2' ' A' ' 126' ' ' TYR . . . 139.57 49.38 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.33 132.86 54.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.762 0.315 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -66.69 126.85 30.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -123.48 128.41 49.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.56 0.695 . . . . 0.0 110.89 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.675 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.826 0.346 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.0 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 24' ' ' ARG . 2.4 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.836 0.351 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 23' ' ' SER . 18.2 mtm-85 -33.18 -68.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -39.52 -70.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 29' ' ' ALA . 5.8 m-20 -48.37 -63.52 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 26' ' ' ASP . 2.9 mmt -35.43 -43.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.409 HD11 ' CA ' ' A' ' 41' ' ' LYS . 31.3 mt -79.33 -36.27 39.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -61.7 -40.0 93.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.524 ' CD2' ' HD2' ' A' ' 119' ' ' LYS . 16.7 t90 -56.13 -55.15 36.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.47 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 46.4 t -70.86 -38.0 70.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -63.09 -11.66 21.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -115.26 -34.09 5.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.0 m -54.81 -64.96 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.501 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 3.0 mt -107.13 17.02 23.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 64.46 50.91 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.501 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 3.0 mm? -84.64 163.7 19.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -128.79 39.44 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.471 ' CE2' HD12 ' A' ' 37' ' ' LEU . 24.2 m-85 -82.43 118.96 23.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 66.7 p -89.17 -11.3 44.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.128 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.409 ' CA ' HD11 ' A' ' 28' ' ' LEU . 32.1 mttm -140.49 133.24 28.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.567 HG13 ' CE1' ' A' ' 112' ' ' PHE . 20.7 mm -48.19 -39.41 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -51.58 -37.38 49.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 46' ' ' CYS . 20.3 mm-40 -46.31 -51.06 15.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.421 ' CD1' HD13 ' A' ' 115' ' ' ILE . 23.8 mt -39.01 -26.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 44' ' ' GLN . 28.5 p -41.8 -40.15 1.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' CYS . 26.2 m -33.98 -44.07 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.787 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 99.86 -51.95 1.04 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -34.07 -60.09 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.826 0.346 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.37 -59.21 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -49.55 -43.2 45.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.4 ' HA ' HD13 ' A' ' 85' ' ' LEU . 9.7 m -64.22 -52.84 56.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.501 ' NE2' HD22 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -53.36 -27.23 22.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.48 ' CG ' HD11 ' A' ' 35' ' ' LEU . 9.2 m-85 -69.59 -46.37 66.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 43.3 mmm -46.17 -38.81 8.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.11 -39.5 75.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.836 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.2 tpp -55.2 -50.13 70.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.578 HD11 ' HA ' ' A' ' 122' ' ' PHE . 41.1 mt -82.51 -62.91 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.411 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 1.5 m-85 -102.68 96.83 8.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.731 . . . . 0.0 110.874 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.9 Cg_endo -69.75 142.44 47.97 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.669 2.246 . . . . 0.0 112.389 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.77 26.5 73.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.456 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.0 m -111.63 -37.41 5.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.839 0.352 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.543 HG13 HD13 ' A' ' 65' ' ' LEU . 9.4 p -112.91 146.6 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -99.96 93.32 5.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.543 HD13 HG13 ' A' ' 63' ' ' VAL . 2.0 mp -62.31 -38.44 89.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.83 -45.58 7.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -75.68 -25.18 56.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 92.9 t -66.65 133.31 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.555 ' HE2' ' CD2' ' A' ' 80' ' ' HIS . 35.1 mttm -100.75 105.59 16.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -73.88 -46.37 45.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -81.98 40.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.44 125.46 26.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.098 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.8 tttm -123.79 -37.78 2.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.8 mt -77.97 163.76 25.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -63.87 -63.04 1.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -47.92 -37.07 13.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -55.83 -40.96 73.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -60.51 -40.23 90.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 82' ' ' PHE . 3.5 mp -67.06 -53.28 35.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.555 ' CD2' ' HE2' ' A' ' 69' ' ' LYS . 39.9 t60 -39.72 -49.68 2.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.56 -33.15 73.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.569 ' CD2' HG13 ' A' ' 100' ' ' VAL . 12.8 m-85 -74.58 -36.9 63.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -53.0 -59.74 4.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.1 p -58.16 -36.15 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 52' ' ' CYS . 33.5 tp -60.43 -48.67 80.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.45 ' NE2' ' HB ' ' A' ' 98' ' ' ILE . 11.3 mm-40 -45.95 -40.14 9.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.05 77.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.36 87.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.446 ' CG ' HD11 ' A' ' 98' ' ' ILE . 3.4 m-85 -65.24 -41.55 94.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 91' ' ' LYS . 26.1 mmtp -75.62 -39.12 58.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 90' ' ' LYS . 14.4 mtpt -34.24 -37.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.675 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 15.3 ptp -105.32 -46.74 4.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.92 24.25 0.81 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.528 HG12 ' H ' ' A' ' 96' ' ' LYS . 57.6 t -52.89 113.67 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 0.0 111.168 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -83.44 35.04 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.528 ' H ' HG12 ' A' ' 94' ' ' VAL . 2.5 tmtm? -113.63 86.23 2.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.408 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 28.2 mm -47.15 135.7 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.099 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.45 ' HB ' ' NE2' ' A' ' 86' ' ' GLN . 67.4 mt -101.07 98.53 8.85 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.632 0.73 . . . . 0.0 111.11 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 97' ' ' ILE . 53.8 Cg_endo -69.74 81.68 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.36 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.779 ' O ' HG22 ' A' ' 104' ' ' VAL . 65.7 t -72.07 -56.96 8.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -41.83 -24.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 100' ' ' VAL . 18.1 mttt -101.27 -53.98 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 28.2 mt -46.54 -44.8 18.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 100' ' ' VAL . 18.5 m -60.28 -36.3 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -42.91 -33.21 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.26 31.5 19.5 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -77.57 -177.57 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.558 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 2.0 t80 -113.64 -33.85 5.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -69.23 -70.82 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.29 -23.3 1.34 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.776 ' O ' HG22 ' A' ' 115' ' ' ILE . 2.4 m-80 -79.99 -33.86 39.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.567 ' CE1' HG13 ' A' ' 42' ' ' ILE . 2.2 m-85 -63.35 -48.15 79.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -56.77 -56.34 22.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -49.42 -70.99 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.776 HG22 ' O ' ' A' ' 111' ' ' ASN . 8.2 tp -52.51 -41.73 37.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.152 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 4.8 tp-100 -49.56 -54.8 16.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.454 ' CZ3' ' HG3' ' A' ' 96' ' ' LYS . 16.6 t90 -68.48 -47.44 67.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -47.37 -20.3 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.524 ' HD2' ' CD2' ' A' ' 30' ' ' TRP . 22.2 tptp -62.79 -61.78 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.45 ' HD3' ' HA ' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -69.84 -32.53 70.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.861 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -60.68 -29.37 69.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.578 ' HA ' HD11 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -74.57 -49.02 23.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.404 ' N ' ' CD1' ' A' ' 122' ' ' PHE . 24.1 m-20 -66.64 -37.13 84.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.35 -40.81 50.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -94.23 -45.52 7.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.455 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 33.4 t80 -51.99 145.67 9.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -134.49 -49.68 0.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 167.34 51.92 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.521 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.74 110.11 19.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.759 0.314 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -54.1 151.85 6.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.863 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.427 ' CE1' ' OE1' ' A' ' 53' ' ' GLN . 58.2 t80 -155.18 127.76 7.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.651 0.738 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.721 ' HB2' HG22 ' A' ' 94' ' ' VAL . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.797 0.332 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.1 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.9 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 -50.08 -48.25 53.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -53.1 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.18 -51.88 23.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.1 mmt -46.64 -50.52 17.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' A' ' 41' ' ' LYS . 24.5 mt -72.16 -31.4 65.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.13 88.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 34.8 t90 -55.08 -34.61 63.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.477 HG12 ' CG ' ' A' ' 37' ' ' LEU . 59.5 t -85.78 -38.32 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 -70.79 -6.21 36.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.23 -23.96 9.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.1 m -74.61 -62.35 1.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.504 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -113.35 36.65 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.464 ' ND1' ' C ' ' A' ' 35' ' ' LEU . 23.7 p-80 42.13 55.02 4.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.506 ' HA ' HD13 ' A' ' 37' ' ' LEU . 1.2 mm? -79.2 164.1 24.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -134.05 35.42 3.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.499 ' CE2' HD23 ' A' ' 45' ' ' LEU . 18.1 m-85 -75.42 131.57 40.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.0 m -91.37 -11.82 36.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.166 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.4 ' HA ' HD11 ' A' ' 28' ' ' LEU . 53.0 mttp -153.71 147.79 25.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.552 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 3.2 mm -52.75 -45.04 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -46.74 -38.5 10.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -50.03 -48.34 52.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.551 HD13 HD13 ' A' ' 115' ' ' ILE . 40.6 mt -41.32 -29.52 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 47' ' ' SER . 31.5 p -38.38 -35.83 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' CYS . 75.6 p -35.18 -42.66 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.22 -43.18 2.4 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -39.6 -51.56 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.309 . . . . 0.0 111.06 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.81 -63.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.087 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -42.55 -41.12 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.2 m -64.17 -53.25 52.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.479 ' HB3' HD13 ' A' ' 35' ' ' LEU . 20.7 tt0 -56.09 -20.27 16.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.942 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.448 ' CD2' HD11 ' A' ' 35' ' ' LEU . 9.8 m-85 -77.51 -44.69 27.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 38.8 mmm -52.41 -42.86 64.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -58.47 -49.46 77.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.525 ' HA ' ' CD2' ' A' ' 131' ' ' TYR . 3.3 ttm -58.18 -57.25 13.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.2 mt -64.04 -63.93 1.02 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.41 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 5.1 m-85 -112.51 96.08 34.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.603 0.716 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.9 Cg_endo -69.68 144.3 54.04 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.733 2.289 . . . . 0.0 112.369 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.25 17.38 78.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.543 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.7 t -110.51 -33.05 6.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.3 p -120.94 154.46 24.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.467 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 5.0 t-160 -111.46 105.7 14.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.468 HD11 ' HA ' ' A' ' 53' ' ' GLN . 1.9 mp -72.53 -23.96 61.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.467 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 7.8 tpt180 -60.38 -35.99 77.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -84.82 -13.7 50.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.6 t -75.54 137.43 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -105.05 99.87 9.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -74.59 -32.6 62.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -90.62 35.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.92 137.19 55.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -132.39 -33.51 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.4 mt -87.83 166.13 14.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.51 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 38.5 tt0 -63.65 -62.28 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.438 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 6.6 p80 -43.58 -42.41 5.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.438 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 16.3 mt-10 -54.17 -39.96 67.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.51 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 17.3 m-85 -58.81 -40.27 83.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.529 HG13 HG11 ' A' ' 104' ' ' VAL . 3.9 mp -69.87 -51.47 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 46.0 t60 -38.42 -54.2 1.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.4 -41.31 84.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.556 ' CD2' HG13 ' A' ' 100' ' ' VAL . 11.5 m-85 -60.44 -46.52 89.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.408 ' HD2' ' HA ' ' A' ' 80' ' ' HIS . 2.5 mtpt -44.94 -67.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.6 p -49.14 -37.64 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.4 tp -65.8 -37.07 85.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -55.63 -43.15 75.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.73 -40.99 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.21 -30.25 70.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -70.92 -56.76 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 91' ' ' LYS . 24.4 mmtp -64.12 -41.99 97.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 90' ' ' LYS . 42.7 mttm -37.06 -39.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.531 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 7.3 ptp -98.75 -42.16 7.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 124.4 22.68 2.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.721 HG22 ' HB2' ' A' ' 9' ' ' ALA . 81.2 t -51.71 117.43 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 111.075 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -83.1 37.67 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.581 ' H ' HG12 ' A' ' 94' ' ' VAL . 29.3 tptt -131.89 104.27 6.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 26.4 mm -66.89 143.88 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.409 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 72.6 mt -96.6 104.74 19.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 98' ' ' ILE . 53.9 Cg_endo -69.76 80.1 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.384 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.556 HG13 ' CD2' ' A' ' 82' ' ' PHE . 84.0 t -72.65 -60.48 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.053 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -37.27 -28.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 100' ' ' VAL . 18.2 mttt -98.53 -55.13 2.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 103' ' ' LEU . 12.5 mt -44.45 -50.9 9.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 100' ' ' VAL . 35.8 m -50.36 -38.98 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -53.43 -36.87 62.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 88.53 28.27 22.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.493 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 109' ' ' GLN . 42.0 mttp -67.59 103.61 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.552 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 1.8 t80 -38.53 -29.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 107' ' ' LYS . 0.9 OUTLIER -75.85 -72.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -48.73 -21.3 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.653 ' O ' HG22 ' A' ' 115' ' ' ILE . 2.4 m-80 -80.13 -40.63 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.52 ' CE1' HG13 ' A' ' 42' ' ' ILE . 3.1 m-85 -58.02 -50.28 73.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -53.6 -46.04 70.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -64.04 -70.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.653 HG22 ' O ' ' A' ' 111' ' ' ASN . 9.1 tp -50.04 -32.45 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 27.2 tp60 -60.66 -57.12 14.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 31.8 t90 -68.09 -43.04 79.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -48.11 -24.85 1.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -67.92 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 18.5 pttt -61.02 -22.6 64.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -73.74 -19.45 60.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.478 ' O ' ' CB ' ' A' ' 126' ' ' TYR . 0.3 OUTLIER -85.29 -32.92 22.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -79.3 -34.12 42.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.05 -21.64 66.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -109.63 -48.19 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.478 ' CB ' ' O ' ' A' ' 122' ' ' PHE . 54.0 t80 -49.55 111.42 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.09 -67.93 0.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.443 ' HA2' ' CE1' ' A' ' 126' ' ' TYR . . . 162.42 46.75 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.22 142.76 38.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.15 115.58 13.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.525 ' CD2' ' HA ' ' A' ' 57' ' ' MET . 32.7 t80 -118.97 127.79 53.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.625 0.726 . . . . 0.0 110.936 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.924 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.802 0.334 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 68.7 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.882 0.372 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.0 ptt85 -135.02 -52.71 0.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -60.6 -57.05 14.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.52 -40.69 79.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.497 ' HB2' HD11 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -58.42 -47.39 84.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.477 ' HG ' HD13 ' A' ' 42' ' ' ILE . 52.6 mt -73.28 -36.14 66.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.75 92.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.086 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.567 ' CD1' ' HE3' ' A' ' 119' ' ' LYS . 21.7 t90 -59.55 -42.22 91.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.48 HG12 ' HB2' ' A' ' 37' ' ' LEU . 91.3 t -79.0 -39.89 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.123 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -62.96 -23.06 67.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -103.49 -32.73 9.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 m -56.43 -68.15 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.57 HD22 ' HG2' ' A' ' 53' ' ' GLN . 3.4 mt -108.26 21.97 16.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 61.77 54.96 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.49 HD12 ' CE2' ' A' ' 39' ' ' TYR . 3.4 mm? -91.23 160.41 15.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -124.55 36.3 4.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.49 ' CE2' HD12 ' A' ' 37' ' ' LEU . 26.0 m-85 -77.57 119.0 20.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.2 t -96.69 -4.1 41.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -140.88 128.17 21.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.578 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 15.5 mm -50.81 -31.23 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.402 ' O ' ' SG ' ' A' ' 46' ' ' CYS . 2.1 pp20? -63.25 -36.51 83.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -48.68 -48.65 39.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.58 HD13 HD13 ' A' ' 115' ' ' ILE . 13.9 mt -41.09 -32.68 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.487 ' O ' ' C ' ' A' ' 47' ' ' SER . 31.3 p -35.37 -43.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.504 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 10.0 t -30.83 -52.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.19 -40.09 2.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.472 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.32 -39.97 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 0.0 111.073 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.37 -64.76 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -46.08 -39.66 9.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.8 m -61.93 -61.84 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.57 ' HG2' HD22 ' A' ' 35' ' ' LEU . 30.1 tt0 -45.03 -33.01 1.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -65.27 -42.25 93.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 48.0 mmm -54.22 -38.72 66.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -65.34 -46.18 81.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.424 ' HG3' ' CB ' ' A' ' 131' ' ' TYR . 2.0 ttm -60.14 -57.71 11.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.606 HD22 ' HB2' ' A' ' 125' ' ' ASN . 62.1 mt -63.49 -55.32 24.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.514 ' CG ' ' HE3' ' A' ' 92' ' ' MET . 0.7 OUTLIER -119.63 96.99 49.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.673 0.749 . . . . 0.0 110.883 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.6 Cg_endo -69.76 140.47 42.77 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.713 2.276 . . . . 0.0 112.325 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.52 27.46 71.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.2 m -116.08 -36.14 4.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.815 0.34 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.6 p -115.96 150.7 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -105.05 96.75 6.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 68' ' ' VAL . 5.1 mp -65.23 -40.34 93.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -43.35 -43.3 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.446 ' O ' ' NE2' ' A' ' 80' ' ' HIS . 12.5 mttp -77.96 -22.86 48.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 65' ' ' LEU . 64.5 t -68.33 135.92 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.444 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 28.7 mttm -99.44 106.81 18.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -77.72 -37.85 48.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -92.71 42.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.17 119.58 12.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -116.85 -39.6 3.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.3 mt -82.71 162.19 21.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.477 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 52.1 tt0 -58.3 -62.42 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.437 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.1 p80 -44.01 -41.36 5.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.437 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 23.6 mt-10 -56.46 -36.27 68.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.477 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.9 m-85 -61.7 -40.64 95.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.686 HG13 HG11 ' A' ' 104' ' ' VAL . 5.2 mp -73.66 -40.75 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.446 ' NE2' ' O ' ' A' ' 67' ' ' LYS . 43.6 t60 -43.26 -67.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 47' ' ' SER . 17.7 p30 -47.3 -39.38 14.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.575 ' CD2' HG13 ' A' ' 100' ' ' VAL . 6.8 m-85 -64.9 -38.67 91.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.5 mttp -50.64 -70.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.7 p -50.55 -38.2 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.9 tp -62.28 -43.48 98.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.438 ' HA ' HD12 ' A' ' 98' ' ' ILE . 7.8 mm-40 -51.17 -38.64 53.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.28 -47.04 86.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.26 -38.57 63.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -69.71 -45.81 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -85.26 2.88 42.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.54 -36.65 14.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.924 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 8.7 ptp -95.29 -41.13 9.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.77 39.25 0.4 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.478 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.531 HG12 ' H ' ' A' ' 96' ' ' LYS . 97.7 t -76.78 126.41 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 111.193 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -88.4 38.78 0.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.531 ' H ' HG12 ' A' ' 94' ' ' VAL . 27.1 tptt -132.28 115.15 15.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 82.7 mt -77.44 146.48 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.15 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' A' ' 86' ' ' GLN . 60.7 mt -103.37 97.29 9.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.598 0.713 . . . . 0.0 111.149 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 81.57 0.81 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.645 2.23 . . . . 0.0 112.318 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.575 HG13 ' CD2' ' A' ' 82' ' ' PHE . 59.3 t -70.06 -62.79 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 100' ' ' VAL . 3.9 mt-10 -34.47 -32.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 100' ' ' VAL . 15.5 mttm -94.01 -52.94 4.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 15.2 mt -48.17 -50.46 28.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.686 HG11 HG13 ' A' ' 79' ' ' ILE . 28.4 m -48.35 -29.13 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 51.3 mmtt -63.72 -34.03 76.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.22 30.87 18.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.18 107.97 2.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.808 0.337 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.69 ' CE2' ' CZ ' ' A' ' 112' ' ' PHE . 2.7 t80 -45.59 -29.6 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.27 -74.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.944 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -47.74 -24.82 1.04 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.402 ' O ' HG22 ' A' ' 115' ' ' ILE . 2.1 m-80 -76.43 -46.26 27.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.69 ' CZ ' ' CE2' ' A' ' 108' ' ' PHE . 2.0 m-85 -49.62 -50.08 44.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.56 -54.6 45.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -46.96 -70.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.58 HD13 HD13 ' A' ' 45' ' ' LEU . 5.1 tp -55.43 -43.34 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.483 ' N ' HG23 ' A' ' 115' ' ' ILE . 2.9 tp60 -46.14 -41.95 13.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -83.95 -27.44 28.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.54 -20.98 66.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.567 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 7.3 tptm -72.55 -64.87 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -57.97 -37.22 73.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.531 ' O ' ' ND2' ' A' ' 125' ' ' ASN . 38.0 t80 -63.19 -32.37 73.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -67.52 -32.63 73.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -77.23 -36.94 54.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.82 -35.08 68.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.606 ' HB2' HD22 ' A' ' 58' ' ' LEU . 2.3 m-80 -95.63 -49.16 5.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -52.66 123.71 11.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -104.4 -49.19 3.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 157.9 53.22 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -125.01 117.66 24.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.352 . . . . 0.0 110.83 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -56.42 151.48 13.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.424 ' CB ' ' HG3' ' A' ' 57' ' ' MET . 88.5 t80 -135.58 146.75 48.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 5.5 m120 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.889 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.832 0.348 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 24' ' ' ARG . 3.0 m . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 23' ' ' SER . 13.7 mtm180 -34.17 -58.13 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -49.27 -70.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 29' ' ' ALA . 11.8 m-20 -45.86 -60.37 2.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.638 ' SD ' HG23 ' A' ' 115' ' ' ILE . 4.5 mmt -39.13 -42.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.583 HD11 ' HA ' ' A' ' 41' ' ' LYS . 71.2 mt -82.26 -28.58 31.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -67.02 -50.54 61.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.478 ' CD2' ' HG2' ' A' ' 119' ' ' LYS . 27.9 t90 -50.45 -40.61 51.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.55 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 21.4 t -78.1 -44.85 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -60.38 -13.67 14.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -113.7 -22.14 10.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 m -67.03 -68.41 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.484 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -107.25 21.96 16.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 62.93 54.68 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.484 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 3.9 mm? -90.9 163.67 14.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -130.34 35.68 4.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.454 ' CE2' HD12 ' A' ' 37' ' ' LEU . 27.3 m-85 -71.21 126.96 31.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.504 ' H ' ' NE2' ' A' ' 44' ' ' GLN . 2.7 m -95.26 -4.92 44.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.583 ' HA ' HD11 ' A' ' 28' ' ' LEU . 77.9 mttt -155.59 143.62 19.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.568 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 12.3 mm -54.69 -39.51 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -52.7 -29.92 29.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.504 ' NE2' ' H ' ' A' ' 40' ' ' THR . 26.9 mt-30 -60.51 -33.83 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.611 HD13 HD13 ' A' ' 115' ' ' ILE . 30.8 mt -59.05 -28.65 66.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 47' ' ' SER . 1.7 p -40.78 -41.26 1.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 46' ' ' CYS . 88.1 p -34.43 -41.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 95.8 -41.83 2.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.52 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -35.19 -56.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.07 -64.07 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -43.58 -33.5 1.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.0 m -70.54 -53.56 15.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.473 ' HA ' HD11 ' A' ' 65' ' ' LEU . 61.9 tt0 -56.5 -25.96 52.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.55 ' CZ ' HG13 ' A' ' 31' ' ' VAL . 22.1 m-85 -69.46 -45.83 68.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 78.2 mmm -55.45 -33.09 63.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -66.95 -43.75 82.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.5 ttm -63.59 -61.69 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.99 -65.06 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -115.38 95.83 44.0 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.66 0.743 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 148.17 64.43 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.359 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.05 4.63 78.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.462 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 32.9 m -99.09 -32.2 11.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.9 p -121.38 150.74 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.416 ' O ' HG23 ' A' ' 68' ' ' VAL . 5.0 t-160 -109.5 111.65 23.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' ' 53' ' ' GLN . 0.7 OUTLIER -76.54 -25.29 53.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -57.87 -38.02 74.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.21 -11.89 57.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 64' ' ' HIS . 57.8 t -79.08 126.48 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -94.6 93.48 7.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.905 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -68.36 -14.14 62.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -106.4 21.26 17.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 77' ' ' GLU . . . -58.84 116.27 3.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -114.48 -29.93 6.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.7 mt -83.3 167.47 17.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -68.71 -53.87 19.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -55.95 -23.9 34.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.587 ' HB3' ' HB1' ' A' ' 72' ' ' ALA . 11.7 mt-10 -70.95 -22.05 62.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.0 m-30 -75.22 -39.2 60.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.549 ' H ' HD12 ' A' ' 79' ' ' ILE . 4.4 mp -68.13 -43.22 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.154 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -50.53 -56.78 10.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -53.05 -32.14 45.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.617 ' CD2' HG13 ' A' ' 100' ' ' VAL . 17.2 m-85 -75.03 -38.67 61.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -49.24 -57.79 6.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.9 p -60.84 -34.01 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.8 -47.02 82.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.47 ' HA ' HD12 ' A' ' 98' ' ' ILE . 10.5 mm-40 -51.83 -36.3 47.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.08 96.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.076 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.53 -22.9 62.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -78.15 -53.1 7.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -65.54 -36.27 83.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -43.87 -50.25 8.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 3.0 ptm -87.65 -46.85 9.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.19 39.82 0.33 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.506 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.671 HG12 ' H ' ' A' ' 96' ' ' LYS . 79.6 t -69.2 122.33 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 111.123 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -87.46 31.82 0.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.671 ' H ' HG12 ' A' ' 94' ' ' VAL . 13.7 tptm -121.99 105.34 10.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 42.3 mm -63.83 144.91 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.187 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 86' ' ' GLN . 59.7 mt -104.0 98.73 14.27 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 111.074 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 82.22 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.388 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.617 HG13 ' CD2' ' A' ' 82' ' ' PHE . 57.9 t -70.99 -63.37 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -41.56 -23.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 100' ' ' VAL . 14.2 mttt -98.43 -43.22 6.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.4 -48.67 80.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.538 HG11 HG13 ' A' ' 79' ' ' ILE . 10.9 m -55.24 -18.74 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -11.5 60.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 63.58 19.96 63.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.468 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -63.64 103.69 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.568 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 2.0 t80 -40.98 -29.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -78.15 -72.23 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -45.88 -21.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -81.1 -48.98 11.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.485 ' CE1' HG13 ' A' ' 42' ' ' ILE . 5.1 m-85 -46.95 -47.27 21.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -53.56 -48.39 69.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -63.49 -69.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.638 HG23 ' SD ' ' A' ' 27' ' ' MET . 9.0 tp -49.04 -30.37 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.407 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 8.1 tp60 -63.32 -62.93 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.496 ' HA ' ' CD ' ' A' ' 120' ' ' LYS . 3.4 t90 -69.07 -16.07 63.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -69.75 -30.21 67.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.478 ' HG2' ' CD2' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -74.36 -51.2 15.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.496 ' CD ' ' HA ' ' A' ' 117' ' ' TRP . 3.8 ptmt -61.94 -35.83 79.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -73.99 -23.14 59.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -71.3 -40.01 71.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -81.99 -30.01 31.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.37 -13.6 14.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -125.63 -45.07 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.489 ' CE1' ' HG2' ' A' ' 129' ' ' LYS . 85.1 t80 -52.65 109.57 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -100.86 39.85 1.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.488 ' HA2' ' CE2' ' A' ' 126' ' ' TYR . . . 65.71 61.42 5.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.489 ' HG2' ' CE1' ' A' ' 126' ' ' TYR . 0.1 OUTLIER -114.42 106.15 13.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 110.894 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -47.34 142.43 4.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -154.26 130.74 10.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.628 0.728 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.785 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.884 0.373 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -47.66 -45.79 28.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -58.5 -69.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 29' ' ' ALA . 11.4 m-20 -52.1 -61.44 2.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.554 ' SD ' HG23 ' A' ' 115' ' ' ILE . 4.5 mmt -37.16 -43.36 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.431 ' O ' ' ND2' ' A' ' 32' ' ' ASN . 31.4 mt -78.95 -38.66 36.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -58.32 -42.81 87.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.565 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 4.5 t90 -57.99 -55.37 35.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.406 ' CG2' HD11 ' A' ' 115' ' ' ILE . 62.9 t -66.4 -34.85 72.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 28' ' ' LEU . 2.0 m-80 -62.72 -20.93 65.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -104.95 -31.45 9.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.4 m -54.87 -66.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.551 HD11 ' CD2' ' A' ' 54' ' ' PHE . 0.8 OUTLIER -111.49 18.47 19.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 64.1 52.28 2.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.0 mm? -83.36 166.42 18.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -135.02 38.9 2.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.428 ' HB2' HD22 ' A' ' 28' ' ' LEU . 22.7 m-85 -80.45 124.58 29.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.1 p -90.86 -12.08 37.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -140.5 144.26 35.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.564 HG13 ' CE1' ' A' ' 112' ' ' PHE . 6.4 mm -61.21 -33.06 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -59.48 -33.0 70.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -53.19 -46.09 68.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.9 mt -43.8 -28.51 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 47' ' ' SER . 17.3 p -42.57 -37.66 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.45 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 2.5 p -34.37 -40.61 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 96.28 -46.99 1.8 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.26 -57.23 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.819 0.343 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.8 -64.57 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -43.01 -38.36 2.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.0 m -66.18 -56.81 9.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -48.23 -25.36 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.551 ' CD2' HD11 ' A' ' 35' ' ' LEU . 10.4 m-85 -72.3 -46.89 53.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 59.4 mmm -51.47 -39.7 58.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -60.09 -52.02 67.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.47 ' HG3' ' CB ' ' A' ' 131' ' ' TYR . 5.2 ttm -58.37 -56.04 27.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.58 -64.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 4.0 m-85 -114.84 99.91 52.68 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.699 0.761 . . . . 0.0 110.866 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.0 Cg_endo -69.8 143.21 49.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.31 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.08 18.89 78.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.452 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.8 m -108.45 -35.63 6.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.357 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.1 p -116.3 155.77 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.415 ' O ' HG23 ' A' ' 68' ' ' VAL . 1.3 t-80 -114.78 96.84 5.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.2 mp -65.12 -30.08 70.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.26 -43.26 67.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.432 ' O ' ' NE2' ' A' ' 80' ' ' HIS . 15.2 mttt -80.46 -19.89 45.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 64' ' ' HIS . 54.6 t -68.94 131.34 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -98.02 102.4 14.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -75.39 -37.18 60.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -87.58 36.24 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.01 130.6 43.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.063 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -129.2 -35.77 1.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 49.9 mt -78.13 171.06 15.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.563 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 14.5 tt0 -71.85 -60.6 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -48.58 -33.42 9.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -64.84 -33.23 75.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.563 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 23.2 m-85 -62.25 -28.13 69.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.551 HG13 HG11 ' A' ' 104' ' ' VAL . 3.9 mp -81.09 -38.83 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.152 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.432 ' NE2' ' O ' ' A' ' 67' ' ' LYS . 38.6 t60 -46.22 -65.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 47' ' ' SER . 7.9 p30 -50.84 -28.75 10.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.655 ' CD2' HG13 ' A' ' 100' ' ' VAL . 2.8 m-85 -78.34 -33.82 48.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -57.29 -66.47 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.4 p -55.16 -32.0 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.7 tp -64.49 -49.25 72.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -48.11 -41.38 26.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.99 -41.9 71.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.57 -34.93 71.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.477 ' CD2' HG11 ' A' ' 94' ' ' VAL . 3.3 m-85 -64.97 -55.46 18.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' MET . 0.4 OUTLIER -64.56 -41.09 96.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 90' ' ' LYS . 28.5 mttp -34.11 -35.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.785 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 8.7 ptp -111.31 -38.88 4.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 121.46 35.56 0.79 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.445 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.725 HG12 ' H ' ' A' ' 96' ' ' LYS . 40.6 t -54.05 122.58 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 111.11 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -83.48 36.65 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.725 ' H ' HG12 ' A' ' 94' ' ' VAL . 14.8 tptt -135.2 117.39 15.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 37.7 mm -77.41 143.76 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.45 HD11 ' CE1' ' A' ' 89' ' ' PHE . 38.4 mt -103.26 97.29 9.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 111.187 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 79.31 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.69 ' O ' HG22 ' A' ' 104' ' ' VAL . 66.1 t -66.63 -63.27 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 100' ' ' VAL . 5.2 mm-40 -36.06 -37.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -87.57 -43.07 12.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.7 mt -59.3 -56.12 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 100' ' ' VAL . 13.2 m -42.86 -48.05 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 104' ' ' VAL . 6.8 mmpt? -32.83 -40.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.86 29.62 12.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -72.76 172.08 11.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.482 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 1.4 t80 -100.69 -30.45 11.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -73.45 -71.06 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -49.45 -24.1 1.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -77.1 -45.39 27.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.564 ' CE1' HG13 ' A' ' 42' ' ' ILE . 3.4 m-85 -51.03 -60.8 2.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -44.35 -63.77 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -39.28 -70.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.554 HG23 ' SD ' ' A' ' 27' ' ' MET . 8.8 tp -52.68 -33.94 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.183 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.445 ' OE1' ' C ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -56.98 -60.9 2.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.563 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 3.6 t90 -68.18 -28.77 67.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -59.17 -26.46 64.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.565 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 22.6 tptp -65.3 -66.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -55.5 -48.22 74.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.41 ' O ' ' ND2' ' A' ' 125' ' ' ASN . 28.9 t80 -56.42 -33.39 65.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.558 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 0.5 OUTLIER -72.22 -41.62 66.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -72.6 -34.9 67.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -54.48 -35.78 63.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 121' ' ' PHE . 0.9 OUTLIER -100.84 -48.16 4.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.508 ' CZ ' ' HA2' ' A' ' 128' ' ' GLY . 18.6 t80 -41.89 133.61 2.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -131.41 41.83 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.508 ' HA2' ' CZ ' ' A' ' 126' ' ' TYR . . . 45.07 67.8 1.1 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.495 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 130' ' ' ASP . 2.5 mtmp? -98.61 19.8 14.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 129' ' ' LYS . 2.0 t70 34.2 41.27 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.47 ' CB ' ' HG3' ' A' ' 57' ' ' MET . 78.1 t80 -51.38 151.94 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.6 m120 . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.639 0.733 . . . . 0.0 110.916 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.717 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.832 0.349 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.0 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 24' ' ' ARG . 8.1 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.872 0.367 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 23' ' ' SER . 16.1 ttt180 -33.97 -49.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -50.35 -70.42 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -52.87 -52.61 56.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.2 mmt -46.72 -42.33 16.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.3 mt -81.01 -31.01 34.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.93 -33.42 74.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.542 ' CD1' ' HE3' ' A' ' 119' ' ' LYS . 14.4 t90 -64.18 -42.02 96.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.3 t -81.69 -41.84 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.17 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -60.86 -17.49 50.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.97 -43.81 4.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 m -53.5 -67.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.604 HD22 ' HG2' ' A' ' 53' ' ' GLN . 11.2 mt -98.74 15.07 26.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 58.01 54.03 6.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.541 HD23 ' HB2' ' A' ' 35' ' ' LEU . 2.3 mm? -87.29 170.83 11.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -132.91 37.79 3.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -78.53 122.65 26.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.536 HG23 ' HG3' ' A' ' 41' ' ' LYS . 12.2 t -93.23 -9.18 40.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.536 ' HG3' HG23 ' A' ' 40' ' ' THR . 9.0 mtmp? -147.04 137.55 23.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.523 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 3.3 mm -54.17 -46.01 67.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.135 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -44.66 -32.31 1.44 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' CYS . 25.5 mt-30 -57.99 -46.35 85.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.1 mt -40.04 -27.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 47' ' ' SER . 31.7 p -43.1 -39.06 2.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 46' ' ' CYS . 3.2 t -33.85 -44.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 100.41 -50.17 1.08 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -33.75 -56.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.71 -60.69 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -50.3 -37.96 39.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 11.2 m -67.64 -51.41 50.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.604 ' HG2' HD22 ' A' ' 35' ' ' LEU . 30.1 tt0 -54.22 -25.65 24.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.475 ' CG ' HD11 ' A' ' 35' ' ' LEU . 8.8 m-85 -73.29 -45.16 57.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 46.3 mmm -47.66 -42.85 25.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -65.73 -39.11 90.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.838 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.481 ' SD ' ' CB ' ' A' ' 131' ' ' TYR . 6.8 tpp -56.37 -58.73 6.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.563 HD11 ' HA ' ' A' ' 122' ' ' PHE . 74.5 mt -73.72 -62.44 1.49 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.412 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 2.0 m-85 -103.07 96.01 7.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.656 0.741 . . . . 0.0 110.919 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.5 Cg_endo -69.77 142.87 49.06 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.245 . . . . 0.0 112.324 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.28 19.64 72.52 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 23.6 m -104.07 -35.99 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.2 p -116.37 152.88 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.452 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 1.1 t-80 -106.77 99.46 9.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 mp -66.04 -36.87 84.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.452 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 11.4 mmm180 -47.72 -42.79 26.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.856 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -76.89 -23.04 52.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 49' ' ' ALA . 71.8 t -70.56 130.85 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.415 ' HE2' ' CD2' ' A' ' 80' ' ' HIS . 32.2 mttm -99.57 105.27 17.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -74.2 -43.78 55.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -82.8 40.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.96 121.31 20.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -117.35 -37.79 3.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.5 mt -79.74 166.48 21.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.949 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.452 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 41.7 tt0 -65.53 -62.75 1.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.4 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.2 p80 -43.73 -39.25 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.4 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 26.4 mt-10 -56.32 -38.23 71.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.452 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.7 m-85 -64.14 -40.5 96.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.539 HG13 HG11 ' A' ' 104' ' ' VAL . 3.7 mp -65.07 -49.1 81.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.415 ' CD2' ' HE2' ' A' ' 69' ' ' LYS . 55.9 t60 -48.48 -60.17 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -46.97 -33.77 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.546 ' CD2' HG13 ' A' ' 100' ' ' VAL . 13.3 m-85 -75.49 -42.04 53.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.7 mttp -44.53 -62.07 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.6 p -55.51 -39.11 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.1 tp -60.25 -47.8 84.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -51.24 -36.27 41.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.26 89.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.85 -34.23 76.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.475 ' CG ' HD11 ' A' ' 98' ' ' ILE . 3.5 m-85 -62.92 -44.61 95.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 91' ' ' LYS . 50.7 mmtt -74.04 -38.86 63.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 90' ' ' LYS . 12.1 mtpp -34.7 -40.44 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.717 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 16.6 ptp -102.18 -43.81 5.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.96 29.26 0.88 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.631 HG12 ' H ' ' A' ' 96' ' ' LYS . 83.6 t -54.4 120.58 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.126 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -86.99 36.7 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.631 ' H ' HG12 ' A' ' 94' ' ' VAL . 16.3 tptt -124.93 98.27 5.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.401 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 34.3 mm -59.57 138.72 20.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.475 HD11 ' CG ' ' A' ' 89' ' ' PHE . 60.0 mt -100.19 99.85 10.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.646 0.736 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 97' ' ' ILE . 53.4 Cg_endo -69.82 82.64 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.737 ' O ' HG22 ' A' ' 104' ' ' VAL . 66.7 t -72.57 -53.53 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -46.09 -24.63 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -99.62 -53.72 3.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 23.2 mt -49.42 -54.91 15.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.737 HG22 ' O ' ' A' ' 100' ' ' VAL . 33.1 m -45.36 -41.45 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.439 ' N ' HG23 ' A' ' 104' ' ' VAL . 5.4 mmmm -51.36 -35.38 38.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.03 36.1 6.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -73.91 107.46 6.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.646 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 5.1 t80 -47.36 -30.73 3.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -75.95 -71.19 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -48.84 -19.64 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -80.9 -50.29 9.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.646 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 1.9 m-85 -45.77 -47.86 15.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -56.2 -58.92 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -46.54 -70.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.504 HG23 ' N ' ' A' ' 116' ' ' GLN . 8.8 tp -51.71 -44.55 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.128 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.504 ' N ' HG23 ' A' ' 115' ' ' ILE . 18.3 tp60 -49.58 -49.04 48.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.506 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 8.1 t90 -73.59 -42.25 61.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -52.91 -18.45 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.542 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 10.2 tptm -66.95 -58.03 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.434 ' HD3' ' HA ' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -71.93 -32.14 67.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.566 ' HE1' ' HB1' ' A' ' 9' ' ' ALA . 43.1 t80 -65.23 -24.08 67.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.563 ' HA ' HD11 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -79.85 -44.77 19.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -70.0 -36.61 75.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -49.5 -37.36 26.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 126' ' ' TYR . 3.1 m-80 -101.02 -41.89 6.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.468 ' CZ ' ' HA2' ' A' ' 128' ' ' GLY . 69.9 t80 -35.19 128.87 0.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -123.28 36.33 4.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.468 ' HA2' ' CZ ' ' A' ' 126' ' ' TYR . . . 53.65 86.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.19 166.74 23.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.07 132.22 45.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.481 ' CB ' ' SD ' ' A' ' 57' ' ' MET . 62.5 t80 -139.56 147.33 41.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 121.623 0.725 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.874 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.798 0.332 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.493 HG23 HD22 ' A' ' 125' ' ' ASN . 22.0 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 24' ' ' ARG . 4.8 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.907 0.384 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 23' ' ' SER . 8.7 ptt-85 -34.63 -50.34 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -57.98 -72.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -41.8 -52.93 3.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.698 ' SD ' HG23 ' A' ' 115' ' ' ILE . 0.7 OUTLIER -45.41 -46.56 13.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.9 mt -76.77 -33.15 58.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.19 -37.67 86.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.527 ' CD2' ' HG2' ' A' ' 119' ' ' LYS . 24.2 t90 -62.34 -49.88 73.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.1 t -71.66 -37.33 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.187 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -58.25 -21.33 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -104.92 -36.01 7.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.7 m -49.18 -67.19 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.468 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 1.7 mt -110.49 19.14 19.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 62.66 50.83 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.4 mm? -79.99 168.35 19.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -132.99 32.48 3.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -72.04 138.7 48.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.442 ' C ' ' HG3' ' A' ' 41' ' ' LYS . 2.4 m -111.88 2.53 17.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.442 ' HG3' ' C ' ' A' ' 40' ' ' THR . 2.4 mtpp -153.88 147.92 25.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.51 HD11 ' HB2' ' A' ' 27' ' ' MET . 2.8 mm -69.15 -27.87 36.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.51 ' OE1' ' CE1' ' A' ' 108' ' ' PHE . 1.6 pm0 -65.87 -32.46 73.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.834 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 46' ' ' CYS . 24.6 mt-30 -57.11 -48.2 79.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.508 HD13 HD13 ' A' ' 115' ' ' ILE . 12.4 mt -40.88 -25.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' GLN . 23.5 p -42.45 -36.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 46' ' ' CYS . 24.1 p -34.92 -45.25 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 97.25 -45.63 1.76 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.434 ' HA ' ' CG1' ' A' ' 68' ' ' VAL . . . -37.18 -62.43 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.787 0.327 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.79 -58.68 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -46.49 -36.57 6.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.5 m -68.94 -49.12 60.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -53.81 -23.14 11.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.464 ' CD2' HD11 ' A' ' 35' ' ' LEU . 12.6 m-85 -75.28 -47.57 27.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.8 mmm -51.85 -34.31 40.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -67.83 -42.54 81.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.0 ttm -59.62 -63.24 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.788 HD22 ' HB2' ' A' ' 125' ' ' ASN . 20.0 mt -59.75 -66.5 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.422 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 4.0 m-85 -104.88 100.53 24.42 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.655 0.74 . . . . 0.0 110.888 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.75 142.21 47.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.331 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.77 28.92 74.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 87.3 m -112.04 -38.74 4.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.497 HG13 HD13 ' A' ' 65' ' ' LEU . 5.9 p -113.35 147.33 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.483 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 1.0 OUTLIER -102.96 96.99 7.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.497 HD13 HG13 ' A' ' 63' ' ' VAL . 2.1 mp -66.44 -35.39 80.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.483 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 11.2 mpt_? -48.6 -43.12 35.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -76.77 -21.0 55.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.434 ' CG1' ' HA ' ' A' ' 49' ' ' ALA . 78.2 t -73.75 132.75 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -101.42 107.4 18.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -76.77 -41.31 45.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -84.15 38.01 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.46 132.67 43.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -127.51 -33.43 2.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 79.8 mt -80.61 160.28 25.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.569 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 17.8 tt0 -61.7 -62.92 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.44 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.8 p80 -41.73 -42.17 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.44 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 23.3 mt-10 -55.75 -39.37 71.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 18.8 m-85 -56.93 -39.28 74.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.956 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.606 HG13 HG11 ' A' ' 104' ' ' VAL . 4.1 mp -71.83 -50.41 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -42.96 -60.6 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -49.27 -36.8 21.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.55 ' CD2' HG13 ' A' ' 100' ' ' VAL . 7.2 m-85 -73.62 -34.99 65.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -51.66 -63.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.3 p -54.69 -35.31 32.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.85 -51.6 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -46.57 -30.54 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.72 -46.85 83.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.24 -17.11 62.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -85.5 -44.69 12.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -77.59 -31.51 53.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 92' ' ' MET . 1.1 ptmt -42.61 -40.5 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.874 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 5.0 ptp -101.18 -41.58 6.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.58 27.23 1.08 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.585 HG12 ' H ' ' A' ' 96' ' ' LYS . 47.7 t -54.78 119.63 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.164 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.05 30.15 0.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.585 ' H ' HG12 ' A' ' 94' ' ' VAL . 2.9 tmtm? -113.4 91.68 3.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.401 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 93.4 mt -57.87 134.7 22.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 67.7 mt -98.49 101.75 12.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.639 0.733 . . . . 0.0 111.139 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 97' ' ' ILE . 53.7 Cg_endo -69.79 81.34 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.322 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.55 HG13 ' CD2' ' A' ' 82' ' ' PHE . 58.4 t -72.99 -60.98 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 100' ' ' VAL . 1.9 mt-10 -36.84 -29.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 100' ' ' VAL . 17.3 mttm -97.85 -56.08 2.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.7 mt -43.56 -51.27 6.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.606 HG11 HG13 ' A' ' 79' ' ' ILE . 33.1 m -51.62 -46.34 37.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.542 ' N ' HG23 ' A' ' 104' ' ' VAL . 1.1 mmmp? -36.29 -32.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 104' ' ' VAL . . . 82.11 36.69 17.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.437 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.4 mmtm -78.07 179.16 6.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.353 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.603 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 4.3 t80 -110.63 -17.67 13.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.501 ' C ' ' CD ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -86.69 -72.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.31 -23.51 1.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -78.28 -34.03 49.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.603 ' CD2' ' O ' ' A' ' 108' ' ' PHE . 2.0 m-85 -62.8 -56.56 16.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -51.49 -37.24 48.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -66.71 -69.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.698 HG23 ' SD ' ' A' ' 27' ' ' MET . 9.9 tp -56.77 -23.62 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -64.59 -52.01 59.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.574 ' CH2' ' HG3' ' A' ' 96' ' ' LYS . 8.5 t90 -76.15 -42.45 46.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -41.35 -49.16 3.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.527 ' HG2' ' CD2' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -46.93 -47.94 21.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -66.23 -53.49 36.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.599 ' CE2' ' OD1' ' A' ' 125' ' ' ASN . 68.0 t80 -47.12 -30.99 3.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.38 -42.24 79.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.84 -27.86 58.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.409 ' HB1' HG11 ' A' ' 10' ' ' VAL . . . -67.37 -38.9 85.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.788 ' HB2' HD22 ' A' ' 58' ' ' LEU . 1.6 m120 -90.53 -53.23 4.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.511 ' CE2' ' HA2' ' A' ' 128' ' ' GLY . 62.6 t80 -42.44 122.3 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -117.03 33.61 5.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.511 ' HA2' ' CE2' ' A' ' 126' ' ' TYR . . . 69.8 74.8 0.62 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.451 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -138.43 129.4 26.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -68.87 122.71 19.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -129.92 139.15 51.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 7.3 m120 . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.62 0.724 . . . . 0.0 110.933 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.8 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.816 0.341 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.9 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.168 179.937 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 24' ' ' ARG . 2.2 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.85 0.357 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 23' ' ' SER . 9.7 mtm-85 -33.92 -68.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.816 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 24' ' ' ARG . 46.4 t60 -36.28 -69.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 29' ' ' ALA . 1.1 m-20 -50.91 -64.4 0.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.445 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 3.7 mmt -34.65 -47.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.409 HD11 ' CA ' ' A' ' 41' ' ' LYS . 20.1 mt -75.63 -37.36 59.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -60.1 -40.53 89.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.098 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.56 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 30.0 t90 -56.52 -46.09 80.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.505 HG11 HD21 ' A' ' 45' ' ' LEU . 33.8 t -75.16 -45.84 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.145 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -60.51 -11.12 6.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -115.45 -29.94 6.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.1 m -60.96 -52.84 63.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.586 HD22 ' HG2' ' A' ' 53' ' ' GLN . 0.8 OUTLIER -123.8 18.22 9.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 62.97 53.88 2.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.495 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.5 mm? -86.09 158.76 19.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -118.71 39.63 3.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.575 ' HE2' ' HB2' ' A' ' 50' ' ' ALA . 29.8 m-85 -85.97 118.16 25.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 40' ' ' THR . 28.9 m -93.11 -8.38 42.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.409 ' CA ' HD11 ' A' ' 28' ' ' LEU . 41.1 mtpt -142.23 128.85 20.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.533 HG13 ' CE1' ' A' ' 112' ' ' PHE . 4.6 mm -46.14 -45.44 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -49.6 -35.26 20.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.41 ' C ' ' N ' ' A' ' 46' ' ' CYS . 13.1 mm-40 -51.17 -48.4 61.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.541 HD13 HD13 ' A' ' 115' ' ' ILE . 18.0 mt -43.56 -23.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 47' ' ' SER . 30.3 p -42.87 -38.94 2.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.502 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 42.5 m -34.39 -48.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.09 -38.77 3.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 69' ' ' LYS . . . -43.44 -60.0 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.32 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.575 ' HB2' ' HE2' ' A' ' 39' ' ' TYR . . . -39.87 -60.12 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 45' ' ' LEU . 18.1 m-85 -51.43 -39.32 57.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.416 ' O ' HG11 ' A' ' 63' ' ' VAL . 32.9 m -66.21 -46.96 75.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.586 ' HG2' HD22 ' A' ' 35' ' ' LEU . 37.8 tt0 -58.09 -22.49 50.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.493 ' CD2' HD11 ' A' ' 35' ' ' LEU . 11.0 m-85 -78.09 -45.86 22.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 54.7 mmm -50.06 -37.19 32.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -69.89 -37.6 76.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.482 ' HA ' ' CD2' ' A' ' 131' ' ' TYR . 2.2 ttm -66.47 -57.09 8.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.526 HD21 ' CD1' ' A' ' 122' ' ' PHE . 16.3 mt -61.23 -60.72 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' A' ' 62' ' ' CYS . 5.6 m-85 -113.76 110.83 49.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.617 0.722 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 138.09 36.97 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.65 2.233 . . . . 0.0 112.335 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.31 22.49 72.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.768 ' SG ' ' HB1' ' A' ' 88' ' ' ALA . 0.5 OUTLIER -99.91 -37.09 9.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 -179.863 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.416 HG11 ' O ' ' A' ' 52' ' ' CYS . 2.7 p -119.47 161.6 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.527 ' O ' HG23 ' A' ' 68' ' ' VAL . 2.5 t-160 -114.3 104.43 12.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.1 mp -71.33 -32.73 68.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -55.62 -33.86 64.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -93.53 10.53 32.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 64' ' ' HIS . 46.8 t -104.65 140.62 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 2.0 mtpp -97.69 103.52 15.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -74.58 -26.89 60.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -120.13 57.27 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.41 130.47 39.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -118.06 -35.22 3.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.5 mt -86.6 158.85 19.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.576 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 3.0 tp10 -60.47 -59.56 5.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -46.41 -36.21 6.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -61.84 -34.09 75.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.576 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 23.3 m-85 -62.13 -35.65 79.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.957 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.76 HG13 HG11 ' A' ' 104' ' ' VAL . 4.6 mp -79.19 -38.6 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.143 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -44.56 -63.18 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 47' ' ' SER . 13.1 p30 -51.77 -33.83 36.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.481 ' CG ' HG22 ' A' ' 100' ' ' VAL . 9.4 m-85 -72.41 -36.75 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -52.77 -60.42 3.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.0 p -61.14 -30.73 48.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.53 -47.07 77.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -49.86 -33.21 16.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.48 -43.75 89.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.768 ' HB1' ' SG ' ' A' ' 62' ' ' CYS . . . -62.8 -11.62 19.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -91.36 -50.78 5.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -69.48 -35.12 75.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 92' ' ' MET . 0.0 OUTLIER -42.98 -43.78 4.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.851 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.8 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 9.0 ptp -97.07 -35.93 10.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 120.42 21.58 3.32 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.531 HG12 ' H ' ' A' ' 96' ' ' LYS . 77.9 t -46.68 118.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 111.157 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -83.09 35.74 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.554 ' HG2' ' CH2' ' A' ' 117' ' ' TRP . 30.7 tptt -128.72 109.11 11.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.5 mp -74.08 139.88 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 42.6 mt -98.7 102.7 15.64 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.575 0.703 . . . . 0.0 111.15 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 82.66 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.66 ' O ' HG22 ' A' ' 104' ' ' VAL . 95.6 t -72.85 -46.05 54.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -58.41 -24.83 61.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -99.34 -35.18 10.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 20.2 mt -68.51 -49.1 62.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.76 HG11 HG13 ' A' ' 79' ' ' ILE . 34.8 m -52.87 -24.24 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -65.68 -28.28 68.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.17 35.86 25.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -78.75 104.16 9.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.596 ' CE2' ' CZ ' ' A' ' 112' ' ' PHE . 3.2 t80 -40.83 -31.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -75.28 -70.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -48.7 -19.91 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -82.03 -46.69 13.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.596 ' CZ ' ' CE2' ' A' ' 108' ' ' PHE . 2.6 m-85 -48.97 -47.75 43.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -56.19 -49.52 73.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -56.6 -70.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.541 HD13 HD13 ' A' ' 45' ' ' LEU . 7.9 tp -51.3 -40.69 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.428 ' N ' HG23 ' A' ' 115' ' ' ILE . 7.6 tp-100 -51.27 -59.15 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.554 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 8.7 t90 -68.97 -34.09 74.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -55.17 -23.57 22.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.56 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 6.1 tmtm? -76.0 -60.49 2.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.12 -33.16 68.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -69.56 -22.69 63.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.526 ' CD1' HD21 ' A' ' 58' ' ' LEU . 1.3 t80 -76.58 -41.86 44.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -74.6 -28.84 61.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.9 -33.37 75.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -101.93 -49.31 3.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.432 ' CB ' ' O ' ' A' ' 122' ' ' PHE . 77.9 t80 -43.07 110.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.93 -58.54 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 154.4 41.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.446 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -102.85 159.17 15.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -85.05 135.65 33.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.482 ' CD2' ' HA ' ' A' ' 57' ' ' MET . 48.3 t80 -139.6 121.51 15.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.729 . . . . 0.0 110.875 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.817 0.342 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.8 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.942 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 24' ' ' ARG . 62.9 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.88 0.371 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 23' ' ' SER . 18.0 ptt-85 -35.77 -37.05 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -61.07 -63.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -61.0 -48.67 80.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.406 ' CB ' HD11 ' A' ' 42' ' ' ILE . 2.2 mmt -49.78 -43.48 48.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.442 HD11 ' HA ' ' A' ' 41' ' ' LYS . 19.7 mt -79.18 -36.94 39.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.2 -38.52 86.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.537 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 16.2 t90 -58.18 -43.48 87.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.458 HG12 HD23 ' A' ' 37' ' ' LEU . 23.5 t -79.34 -38.92 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -66.13 -7.72 19.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -115.32 -36.05 4.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.8 m -57.75 -65.58 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.622 HD13 ' HB3' ' A' ' 53' ' ' GLN . 4.2 mt -105.8 13.52 29.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 63.5 55.02 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.503 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.3 mm? -82.94 166.25 19.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.72 31.5 5.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -75.73 127.11 32.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.437 HG23 ' HE2' ' A' ' 41' ' ' LYS . 10.3 t -95.65 -7.41 37.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.106 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.442 ' HA ' HD11 ' A' ' 28' ' ' LEU . 35.9 mtmt -149.88 134.87 17.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.555 HG13 ' CE1' ' A' ' 112' ' ' PHE . 3.4 mm -46.31 -46.92 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -42.62 -41.38 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 46' ' ' CYS . 17.2 mm-40 -47.74 -49.38 28.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.471 HD13 HD13 ' A' ' 115' ' ' ILE . 30.5 mt -40.01 -27.96 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 47' ' ' SER . 32.0 p -42.41 -39.24 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.494 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 43.2 p -34.34 -49.03 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 106.34 -45.99 1.23 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.35 -52.76 1.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.803 0.335 . . . . 0.0 111.086 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.77 -62.11 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -47.5 -41.15 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.8 m -64.01 -55.73 20.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.622 ' HB3' HD13 ' A' ' 35' ' ' LEU . 6.8 tp60 -49.86 -25.83 3.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -73.86 -45.74 49.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.435 ' HB2' HG11 ' A' ' 63' ' ' VAL . 33.0 mmm -53.19 -34.03 55.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -63.93 -50.32 69.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.1 ttp -64.65 -52.51 56.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.775 HD21 ' CD2' ' A' ' 122' ' ' PHE . 75.0 mt -59.66 -60.22 4.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.494 ' CZ ' ' HE1' ' A' ' 92' ' ' MET . 6.8 m-85 -120.71 106.62 39.38 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.635 0.731 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.6 Cg_endo -69.74 142.47 48.11 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.742 2.295 . . . . 0.0 112.332 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.45 26.88 70.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.3 t -113.45 -32.81 6.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.435 HG11 ' HB2' ' A' ' 55' ' ' MET . 4.8 p -123.65 145.73 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.162 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.555 ' O ' HG23 ' A' ' 68' ' ' VAL . 5.2 t-80 -100.89 126.07 47.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mp -92.47 -32.38 14.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.549 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 9.2 mtt180 -58.87 -22.79 59.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.438 ' HG3' ' ND1' ' A' ' 64' ' ' HIS . 6.6 mttp -104.08 12.46 33.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 64' ' ' HIS . 24.5 t -102.23 133.98 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.451 ' HG2' ' CD2' ' A' ' 80' ' ' HIS . 38.0 mmtt -92.16 102.83 15.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -81.24 -38.44 26.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -91.78 27.31 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.1 119.07 4.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -115.85 -37.88 3.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.4 mt -84.36 175.81 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.507 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 21.9 tt0 -70.25 -56.33 7.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -53.67 -28.09 31.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.83 -26.69 62.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.507 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 23.1 m-85 -71.03 -25.43 62.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.573 HG13 HG11 ' A' ' 104' ' ' VAL . 5.0 mp -88.14 -44.26 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.451 ' CD2' ' HG2' ' A' ' 69' ' ' LYS . 57.8 t60 -37.14 -52.53 1.01 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 47' ' ' SER . 9.3 p30 -60.6 -36.11 77.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.506 ' CD2' HG13 ' A' ' 100' ' ' VAL . 15.9 m-85 -69.82 -54.13 15.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 82' ' ' PHE . 60.4 mttt -34.15 -61.0 0.38 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.8 p -61.85 -37.53 78.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 82' ' ' PHE . 51.5 tp -60.58 -39.33 87.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.473 ' HA ' HD12 ' A' ' 98' ' ' ILE . 9.5 mm-40 -57.91 -34.33 69.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.63 -38.63 87.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.61 -32.86 73.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -70.27 -48.56 56.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -68.77 -42.91 76.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -38.43 -55.93 1.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.494 ' HE1' ' CZ ' ' A' ' 59' ' ' PHE . 4.9 ptm -77.41 -47.92 18.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 125.4 44.77 0.26 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.423 HG23 ' CG ' ' A' ' 92' ' ' MET . 39.7 t -77.37 128.17 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.366 . . . . 0.0 111.121 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -87.72 37.63 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -126.86 122.78 35.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 93.8 mt -82.45 144.17 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.473 HD12 ' HA ' ' A' ' 86' ' ' GLN . 64.2 mt -103.01 97.63 9.98 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.649 0.738 . . . . 0.0 111.131 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 80.55 0.85 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.701 2.268 . . . . 0.0 112.32 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.506 HG13 ' CD2' ' A' ' 82' ' ' PHE . 58.7 t -69.94 -61.87 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 100' ' ' VAL . 0.9 OUTLIER -36.67 -30.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 100' ' ' VAL . 0.0 OUTLIER -94.83 -52.89 4.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.8 mt -48.97 -47.62 43.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.573 HG11 HG13 ' A' ' 79' ' ' ILE . 34.0 m -51.72 -28.01 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -58.55 -38.14 77.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.63 32.48 18.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 109' ' ' GLN . 29.4 mtmt -75.53 105.28 6.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.794 0.33 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.548 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 1.8 t80 -36.47 -29.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 107' ' ' LYS . 4.8 tp60 -78.53 -70.58 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -44.86 -21.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.633 ' O ' HG22 ' A' ' 115' ' ' ILE . 4.9 m-80 -84.03 -45.16 13.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.555 ' CE1' HG13 ' A' ' 42' ' ' ILE . 3.1 m-85 -50.19 -45.85 53.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -58.25 -51.38 69.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -57.37 -68.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.633 HG22 ' O ' ' A' ' 111' ' ' ASN . 6.3 tp -49.03 -40.23 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.169 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.47 ' CG ' ' O ' ' A' ' 112' ' ' PHE . 1.7 mm-40 -53.38 -60.28 3.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.436 ' CE2' ' HB2' ' A' ' 121' ' ' PHE . 20.7 t90 -65.74 -32.27 73.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -56.81 -28.69 61.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.537 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 20.8 tptt -62.32 -68.97 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.426 ' CE ' ' HA ' ' A' ' 117' ' ' TRP . 21.8 pttt -58.01 -42.23 84.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.466 ' O ' ' ND2' ' A' ' 125' ' ' ASN . 35.5 t80 -54.7 -30.05 54.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.775 ' CD2' HD21 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -79.19 -28.54 42.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -77.53 -36.09 52.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.25 -23.68 65.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 121' ' ' PHE . 2.6 m-20 -105.51 -47.53 3.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.735 ' CD2' ' CZ ' ' A' ' 122' ' ' PHE . 31.9 t80 -51.23 135.63 25.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.92 -54.17 2.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 163.42 65.79 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.451 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.07 135.97 46.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -84.02 133.43 34.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.805 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -122.5 140.14 53.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.9 m120 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.721 . . . . 0.0 110.841 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.806 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.83 0.348 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.4 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 25' ' ' HIS . 68.2 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.885 0.374 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.568 ' HA ' HD11 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -37.17 -28.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 23' ' ' SER . 13.4 t-160 -68.8 -64.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.98 -56.85 15.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.603 ' HB2' HD11 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -42.72 -41.16 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.456 HD22 ' CB ' ' A' ' 39' ' ' TYR . 45.0 mt -79.61 -38.59 33.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.47 -37.06 79.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.047 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.539 ' CD2' ' HD2' ' A' ' 119' ' ' LYS . 17.7 t90 -62.22 -42.92 99.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.61 HG12 ' HB2' ' A' ' 37' ' ' LEU . 80.9 t -76.39 -42.04 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 2.0 m-80 -59.31 -14.08 10.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -106.84 -27.64 10.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.1 m -66.02 -60.19 3.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.531 HD13 ' HB3' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -123.55 42.07 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.459 ' ND1' ' C ' ' A' ' 35' ' ' LEU . 23.3 p-80 41.17 54.97 3.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.61 ' HB2' HG12 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -84.54 148.81 26.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -112.5 39.56 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.534 ' CE2' ' HG ' ' A' ' 37' ' ' LEU . 20.9 m-85 -78.14 114.02 16.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 44.8 p -95.21 -4.64 45.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -149.58 131.19 14.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.603 HD11 ' HB2' ' A' ' 27' ' ' MET . 11.7 mm -47.52 -35.97 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -57.46 -36.27 71.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 46' ' ' CYS . 22.1 mt-30 -53.84 -46.78 71.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.2 mt -40.67 -25.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' GLN . 30.4 p -44.95 -36.82 3.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.465 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 38.9 m -34.42 -46.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 97.7 -42.83 2.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.528 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -36.24 -62.97 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.084 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.7 -60.88 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -45.66 -40.11 8.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.434 ' HB3' HG21 ' A' ' 68' ' ' VAL . 11.1 m -64.66 -59.17 4.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.606 ' HA ' HD11 ' A' ' 65' ' ' LEU . 46.0 tt0 -52.58 -23.5 6.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -71.7 -49.16 42.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 42.1 mmm -43.19 -42.56 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -64.69 -44.08 91.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.567 ' HA ' ' CE2' ' A' ' 131' ' ' TYR . 8.6 tpp -51.43 -47.96 62.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.523 HD22 ' HB2' ' A' ' 125' ' ' ASN . 19.7 mt -82.67 -61.84 1.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.42 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 1.8 m-85 -109.64 96.53 23.85 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.633 0.73 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.78 142.83 48.9 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.307 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.99 16.71 80.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.4 m -107.07 -34.99 6.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.4 p -116.55 145.92 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.452 ' O ' HG23 ' A' ' 68' ' ' VAL . 4.7 t-160 -100.14 98.96 9.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.606 HD11 ' HA ' ' A' ' 53' ' ' GLN . 2.1 mp -64.45 -39.69 94.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 5.5 mmm180 -47.12 -42.97 20.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -76.01 -26.56 56.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 64' ' ' HIS . 69.6 t -64.3 131.24 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.187 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.474 ' CD ' ' OE1' ' A' ' 77' ' ' GLU . 65.1 mttt -98.87 96.26 7.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -67.25 -37.96 84.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -86.99 43.86 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.63 130.47 35.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -131.85 -36.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.5 mt -78.66 166.82 22.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.496 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 14.0 tt0 -63.0 -62.49 1.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.556 ' CE1' ' HG2' ' A' ' 77' ' ' GLU . 10.1 p80 -45.74 -44.71 13.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.556 ' HG2' ' CE1' ' A' ' 76' ' ' HIS . 13.9 mm-40 -50.7 -36.42 35.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.496 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.5 m-85 -61.81 -41.72 98.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.1 mp -69.92 -55.0 16.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.459 ' CG ' ' HE3' ' A' ' 69' ' ' LYS . 13.5 t60 -37.53 -52.58 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.82 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.77 -44.23 97.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.467 ' CG ' HG22 ' A' ' 100' ' ' VAL . 10.3 m-85 -62.85 -33.35 75.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -54.38 -71.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.6 p -46.63 -39.02 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.4 tp -60.73 -40.27 91.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -51.69 -46.47 63.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.951 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.47 -40.04 64.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.46 -34.85 77.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.452 ' CG ' HD11 ' A' ' 98' ' ' ILE . 2.8 m-85 -68.36 -46.83 69.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 91' ' ' LYS . 37.0 mmtm -69.7 -42.04 74.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 90' ' ' LYS . 12.0 mtpp -34.65 -40.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.806 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 19.2 ptp -100.55 -43.21 6.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.64 21.51 1.77 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.807 HG12 ' H ' ' A' ' 96' ' ' LYS . 86.2 t -44.77 116.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 111.129 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.2 10.26 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.807 ' H ' HG12 ' A' ' 94' ' ' VAL . 13.1 tptm -104.39 98.13 7.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 47.1 mm -61.81 147.33 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.452 HD11 ' CG ' ' A' ' 89' ' ' PHE . 24.1 mt -103.34 100.16 17.27 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.562 0.696 . . . . 0.0 111.175 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 79.24 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.371 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.467 HG22 ' CG ' ' A' ' 82' ' ' PHE . 95.7 t -67.93 -58.83 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -39.45 -38.13 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -87.92 -44.83 10.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 103' ' ' LEU . 13.6 mt -54.92 -54.86 37.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.514 HG23 ' N ' ' A' ' 105' ' ' LYS . 34.1 m -45.0 -45.56 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.514 ' N ' HG23 ' A' ' 104' ' ' VAL . 10.4 mmmm -45.13 -33.93 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.71 39.95 10.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.514 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 109' ' ' GLN . 11.4 mmmt -77.47 106.02 8.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.588 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 1.8 t80 -40.16 -26.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.498 ' C ' ' CD ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -80.53 -72.22 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -48.34 -23.39 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.496 ' HB3' HG22 ' A' ' 42' ' ' ILE . 2.0 m-80 -80.86 -41.28 23.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.588 ' CD2' ' O ' ' A' ' 108' ' ' PHE . 2.3 m-85 -51.23 -56.73 11.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 114' ' ' PHE . 9.1 mt-10 -49.57 -65.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' GLU . 5.8 t80 -34.89 -70.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.431 HG23 ' N ' ' A' ' 116' ' ' GLN . 9.0 tp -54.13 -39.98 44.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.431 ' N ' HG23 ' A' ' 115' ' ' ILE . 10.9 tp60 -53.77 -37.17 63.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.565 ' CZ3' ' HG2' ' A' ' 96' ' ' LYS . 22.9 t90 -86.1 -50.44 7.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -42.73 -24.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.539 ' HD2' ' CD2' ' A' ' 30' ' ' TRP . 14.1 tptm -58.57 -69.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.439 ' HB3' ' NZ ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -59.92 -35.71 75.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.583 ' HE1' ' HB1' ' A' ' 9' ' ' ALA . 42.4 t80 -59.09 -18.96 40.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -89.05 -44.95 10.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -68.85 -37.69 79.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.26 -44.79 53.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.523 ' HB2' HD22 ' A' ' 58' ' ' LEU . 4.3 m-80 -92.1 -45.85 8.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -50.0 122.84 7.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -121.78 41.64 3.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 64.41 78.31 0.21 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.497 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -135.17 115.8 13.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.755 0.312 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -50.47 127.1 16.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.567 ' CE2' ' HA ' ' A' ' 57' ' ' MET . 27.5 t80 -135.37 120.05 18.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.964 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.4 m120 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 110.895 -179.962 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.709 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.773 0.32 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.6 HG23 ' OD1' ' A' ' 125' ' ' ASN . 68.2 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.896 0.379 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -132.14 -67.39 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -50.0 -62.15 1.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -53.17 -43.32 66.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.8 mmt -54.51 -40.38 68.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.3 mt -79.94 -39.38 30.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.25 -47.13 84.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.069 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.538 ' CE2' ' HD2' ' A' ' 119' ' ' LYS . 14.6 t90 -50.98 -45.79 61.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.5 t -74.61 -41.63 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -55.53 -20.55 13.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -103.72 -27.52 12.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.498 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 23.7 m -63.23 -58.0 8.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.562 ' O ' ' CG ' ' A' ' 36' ' ' HIS . 0.8 OUTLIER -124.44 37.01 4.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 35' ' ' LEU . 23.5 p-80 46.41 54.93 8.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.637 HD12 ' CE2' ' A' ' 39' ' ' TYR . 2.6 mm? -84.05 162.43 20.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -133.93 37.24 3.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.637 ' CE2' HD12 ' A' ' 37' ' ' LEU . 24.0 m-85 -79.8 117.25 20.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.405 ' O ' HG22 ' A' ' 40' ' ' THR . 60.9 m -83.59 -13.6 54.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -143.34 142.52 31.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.581 HG13 ' CE1' ' A' ' 112' ' ' PHE . 14.4 mm -54.27 -40.85 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -52.05 -28.0 15.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -63.3 -44.92 93.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.454 HD13 HD13 ' A' ' 115' ' ' ILE . 14.8 mt -41.94 -28.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 47' ' ' SER . 30.4 p -36.21 -36.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 46' ' ' CYS . 2.8 p -34.46 -41.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 87.85 -46.94 3.49 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -33.65 -55.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.8 -59.85 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -45.9 -40.48 10.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.925 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.405 ' O ' HG11 ' A' ' 63' ' ' VAL . 29.6 m -64.14 -54.33 35.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.549 ' HA ' HD11 ' A' ' 65' ' ' LEU . 25.9 tt0 -53.13 -32.14 45.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.498 ' CE1' ' HB3' ' A' ' 34' ' ' SER . 10.0 m-85 -63.62 -52.3 61.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 65.5 mmm -43.87 -43.3 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -62.15 -48.1 81.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.517 ' HA ' ' CD2' ' A' ' 131' ' ' TYR . 3.4 ttm -57.23 -63.04 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.426 ' CD2' ' HB2' ' A' ' 126' ' ' TYR . 51.6 mt -54.44 -63.56 1.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -113.33 115.87 46.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 138.28 37.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.342 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.1 22.16 70.46 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 31.4 t -95.81 -28.12 14.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.86 0.362 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.405 HG11 ' O ' ' A' ' 52' ' ' CYS . 3.9 p -131.66 162.95 38.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.511 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 3.6 t-160 -113.71 95.36 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.549 HD11 ' HA ' ' A' ' 53' ' ' GLN . 3.9 mp -62.48 -27.16 68.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.511 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 6.6 tpm_? -57.0 -39.26 74.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -83.26 -14.38 53.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.4 t -74.43 131.4 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.566 ' HE3' ' CD2' ' A' ' 80' ' ' HIS . 34.8 mttt -102.73 102.88 13.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -75.46 -38.24 59.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -84.78 37.84 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.48 123.64 24.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -121.47 -36.88 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 77.9 mt -79.6 164.24 23.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.579 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.5 tt0 -63.92 -59.02 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.417 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 2.3 p80 -45.46 -40.37 8.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 12.4 mt-10 -57.36 -35.81 70.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.579 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.1 m-85 -61.4 -40.55 94.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.46 HG13 HG11 ' A' ' 104' ' ' VAL . 4.2 mp -70.17 -46.49 71.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.566 ' CD2' ' HE3' ' A' ' 69' ' ' LYS . 26.5 t60 -45.86 -63.17 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -44.25 -36.2 2.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.819 ' CD2' HG13 ' A' ' 100' ' ' VAL . 13.0 m-85 -75.49 -42.65 52.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -42.8 -57.84 2.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.85 -34.78 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.496 HD23 ' HD1' ' A' ' 82' ' ' PHE . 42.4 tp -62.47 -45.46 92.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.511 ' HA ' HD12 ' A' ' 98' ' ' ILE . 6.7 mm-40 -50.92 -37.22 42.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.87 90.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.18 -15.79 11.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -87.86 -53.81 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -67.93 -33.07 73.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 92' ' ' MET . 0.0 OUTLIER -44.84 -37.43 3.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.709 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 8.8 ptp -102.34 -40.17 6.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.43 22.37 1.2 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.564 HG23 ' HG3' ' A' ' 92' ' ' MET . 27.6 t -60.85 110.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.18 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -83.02 35.49 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.571 ' HE2' ' CE3' ' A' ' 117' ' ' TRP . 2.1 tmtm? -112.33 85.46 2.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 86.2 mt -48.47 136.34 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 86' ' ' GLN . 68.6 mt -103.66 99.41 15.62 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.637 0.732 . . . . 0.0 111.12 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 79.94 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.336 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.819 HG13 ' CD2' ' A' ' 82' ' ' PHE . 41.5 t -69.93 -63.18 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -38.81 -26.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 100' ' ' VAL . 18.4 mttt -96.89 -47.82 5.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 103' ' ' LEU . 21.0 mt -55.58 -46.96 77.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.46 HG11 HG13 ' A' ' 79' ' ' ILE . 25.3 m -55.83 -34.25 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -45.93 -35.51 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 88.15 33.12 11.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -77.31 176.95 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.347 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.594 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 2.5 t80 -106.78 -36.32 6.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.425 ' C ' ' N ' ' A' ' 111' ' ' ASN . 3.7 tp60 -74.7 -70.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -43.43 -22.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.566 ' O ' HG22 ' A' ' 115' ' ' ILE . 2.3 m-80 -84.07 -48.08 10.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.594 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 2.5 m-85 -46.99 -49.69 20.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -56.01 -48.15 76.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.469 ' CE1' ' HE3' ' A' ' 96' ' ' LYS . 8.9 t80 -60.95 -71.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.82 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.566 HG22 ' O ' ' A' ' 111' ' ' ASN . 6.7 tp -49.05 -42.76 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.499 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 1.3 tp60 -52.37 -57.48 9.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.571 ' CE3' ' HE2' ' A' ' 96' ' ' LYS . 16.7 t90 -65.74 -32.35 73.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.401 ' HE2' ' CD2' ' A' ' 54' ' ' PHE . 2.7 t80 -55.74 -33.58 64.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.839 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.538 ' HD2' ' CE2' ' A' ' 30' ' ' TRP . 24.0 tptp -61.13 -71.03 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.19 -39.17 43.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -64.29 -29.85 70.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.523 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -72.56 -41.21 66.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -74.16 -35.4 64.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.41 -36.22 31.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.6 ' OD1' HG23 ' A' ' 10' ' ' VAL . 32.4 m-80 -103.92 -46.55 4.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.426 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 62.6 t80 -52.56 101.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -95.02 40.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 65.41 47.96 73.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.518 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.407 ' NZ ' ' O ' ' A' ' 57' ' ' MET . 12.2 ptmm? -101.19 108.24 19.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -50.35 122.39 6.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.517 ' CD2' ' HA ' ' A' ' 57' ' ' MET . 7.7 t80 -136.54 118.19 14.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.8 m120 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.654 0.74 . . . . 0.0 110.888 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -50.18 -57.31 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.883 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 m -55.88 137.97 49.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.56 -160.73 13.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.435 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.1 p 42.51 27.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 0.0 110.839 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 t -64.59 -60.91 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.89 83.92 0.45 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.419 ' C ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -127.42 167.4 16.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 110.864 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.85 124.23 46.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' ASN . 99.4 t -82.0 91.36 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.065 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 10' ' ' VAL . 11.6 m120 -36.83 154.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.581 HG11 ' HD2' ' A' ' 120' ' ' LYS . 11.1 t -114.27 126.87 71.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -103.35 -71.58 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.8 t 56.54 41.2 28.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.2 p -90.77 79.72 5.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -157.11 160.83 39.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.563 HG23 ' N ' ' A' ' 18' ' ' THR . 13.3 m -44.31 -54.5 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.563 ' N ' HG23 ' A' ' 17' ' ' VAL . 7.0 t -47.48 145.48 2.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.5 p -150.61 113.0 4.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -111.42 103.15 11.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -123.63 135.6 54.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.2 mt -89.26 178.24 6.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.956 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 t -118.44 176.49 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -40.32 -60.37 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -48.31 -70.89 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 27' ' ' MET . 2.8 m-20 -47.08 -64.55 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.454 ' C ' ' O ' ' A' ' 26' ' ' ASP . 1.2 mmt -33.39 -41.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.3 mt -79.79 -46.63 16.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -53.02 -37.47 61.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.074 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.563 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 19.2 t90 -56.97 -51.03 70.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.562 HG13 ' CE2' ' A' ' 54' ' ' PHE . 18.9 t -71.99 -42.78 68.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -56.79 -17.08 7.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -110.07 -18.71 13.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.9 m -70.84 -65.63 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.715 HD22 ' HG2' ' A' ' 53' ' ' GLN . 0.4 OUTLIER -110.8 20.09 17.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 63.77 54.14 1.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.9 mm? -87.85 164.93 15.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -131.08 31.91 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.48 ' CD1' ' HB3' ' A' ' 44' ' ' GLN . 23.0 m-85 -71.59 129.23 38.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 62.1 p -101.89 -0.56 33.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.147 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -149.82 134.99 18.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.539 HG13 ' CE1' ' A' ' 112' ' ' PHE . 7.1 mm -54.25 -28.12 17.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -25.9 65.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.48 ' HB3' ' CD1' ' A' ' 39' ' ' TYR . 13.8 mm100 -58.77 -37.25 75.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.417 HD13 HD13 ' A' ' 115' ' ' ILE . 18.0 mt -54.84 -16.1 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.2 p -48.94 -37.07 18.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 t -45.95 -36.73 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 88.55 -40.88 3.05 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -34.89 -36.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.7 -53.98 33.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -55.46 -34.17 64.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.931 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.406 ' HA ' HD13 ' A' ' 85' ' ' LEU . 2.7 m -67.99 -41.96 81.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.715 ' HG2' HD22 ' A' ' 35' ' ' LEU . 37.4 tt0 -67.01 -22.8 65.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.708 ' CD2' HD11 ' A' ' 35' ' ' LEU . 12.3 m-85 -74.14 -47.51 35.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.412 ' HG3' ' CD1' ' A' ' 85' ' ' LEU . 74.5 mmm -49.02 -46.36 43.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.35 -39.41 87.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.571 ' HA ' ' CD2' ' A' ' 131' ' ' TYR . 2.7 ttm -63.0 -58.2 8.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.809 HD21 ' CD1' ' A' ' 122' ' ' PHE . 26.9 mt -66.56 -63.61 1.03 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.429 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 5.3 m-85 -111.22 95.78 27.35 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.8 Cg_endo -69.79 143.49 50.89 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.95 1.05 87.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 11.7 m -95.82 -30.61 13.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.2 p -121.9 149.58 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.451 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 5.0 t-160 -109.17 107.27 17.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.66 -15.38 62.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.451 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -69.31 -39.08 78.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -82.09 -3.74 55.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.2 t -88.69 149.58 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -114.53 95.8 5.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -74.72 -16.06 60.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -102.15 14.94 30.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.57 131.57 25.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.8 pttm -125.85 -31.56 2.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.2 mt -91.1 177.69 6.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.547 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 26.9 tt0 -76.95 -47.3 21.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -55.57 -33.11 63.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.48 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 25.6 mt-10 -66.36 -23.09 66.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.547 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 15.4 m-30 -73.62 -36.94 65.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.613 HG13 HG11 ' A' ' 104' ' ' VAL . 3.4 mp -68.44 -48.95 70.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -47.51 -54.92 10.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 77' ' ' GLU . 3.6 m-20 -53.71 -41.08 66.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.507 ' CD2' HG13 ' A' ' 100' ' ' VAL . 12.6 m-85 -66.02 -38.54 88.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.9 mttt -49.79 -65.98 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.4 p -53.22 -36.37 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.093 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.412 ' CD1' ' HG3' ' A' ' 55' ' ' MET . 25.3 tp -64.07 -43.71 94.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -53.69 -33.7 56.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.69 93.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.43 -28.28 66.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -70.83 -56.53 6.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -67.42 -32.76 73.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -48.1 -48.8 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.476 ' CG ' HG23 ' A' ' 94' ' ' VAL . 3.0 ptm -87.7 -45.98 9.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.61 38.21 0.37 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.71 HG12 ' H ' ' A' ' 96' ' ' LYS . 44.7 t -73.33 122.8 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 111.127 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -89.46 25.31 1.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.71 ' H ' HG12 ' A' ' 94' ' ' VAL . 2.8 tmtm? -108.32 89.13 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 27.0 mm -50.0 141.63 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 54.2 mt -105.31 97.71 14.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.741 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 82.7 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.685 2.257 . . . . 0.0 112.379 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.567 ' O ' HG22 ' A' ' 104' ' ' VAL . 62.8 t -72.16 -57.68 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.17 -27.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 100' ' ' VAL . 10.7 mttp -99.01 -53.86 3.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 103' ' ' LEU . 18.0 mt -46.99 -47.65 21.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.613 HG11 HG13 ' A' ' 79' ' ' ILE . 35.7 m -52.81 -46.65 51.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.532 ' N ' HG23 ' A' ' 104' ' ' VAL . 41.7 mmtt -34.03 -40.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.13 25.44 19.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.417 ' HE2' ' N ' ' A' ' 107' ' ' LYS . 6.9 mmpt? -67.99 168.52 11.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.553 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 4.0 t80 -103.56 -15.1 15.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.468 ' C ' ' CD ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -89.91 -71.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -45.38 -21.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -81.1 -51.26 8.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.553 ' CD2' ' O ' ' A' ' 108' ' ' PHE . 3.4 m-85 -43.61 -50.17 7.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -56.1 -61.71 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -43.84 -70.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.567 HG23 ' N ' ' A' ' 116' ' ' GLN . 7.7 tp -50.78 -47.56 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.567 ' N ' HG23 ' A' ' 115' ' ' ILE . 1.2 mm-40 -44.19 -47.94 9.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.477 ' CH2' ' HG3' ' A' ' 96' ' ' LYS . 5.0 t90 -82.66 -19.37 38.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -65.63 -23.44 66.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.563 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 6.2 tmtm? -73.25 -65.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.581 ' HD2' HG11 ' A' ' 12' ' ' VAL . 10.5 pttm -56.19 -30.25 62.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.513 ' HA ' HG21 ' A' ' 12' ' ' VAL . 29.2 t80 -70.79 -20.93 62.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.809 ' CD1' HD21 ' A' ' 58' ' ' LEU . 1.3 t80 -86.79 -30.41 21.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -76.88 -27.92 55.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.69 -15.38 63.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.632 ' HB2' HD22 ' A' ' 58' ' ' LEU . 1.3 m-20 -116.35 -39.45 3.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.448 ' CD2' ' CE1' ' A' ' 122' ' ' PHE . 45.5 t80 -65.83 114.3 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -93.21 -39.34 11.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.414 ' HA2' ' CE1' ' A' ' 126' ' ' TYR . . . 147.65 52.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.17 150.78 30.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -86.98 131.71 34.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.571 ' CD2' ' HA ' ' A' ' 57' ' ' MET . 59.2 t80 -130.72 123.45 29.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.413 ' HA ' ' HD2' ' A' ' 133' ' ' PRO . 2.6 m-80 -95.65 104.37 15.9 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.637 0.732 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 132' ' ' ASN . 53.9 Cg_endo -69.76 -36.22 11.2 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.7 2.267 . . . . 0.0 112.357 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.419 ' C ' ' HG3' ' A' ' 138' ' ' GLN . 16.0 mt -67.17 -53.52 29.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.505 HD23 ' CD ' ' A' ' 138' ' ' GLN . 78.3 mt -47.77 -23.02 0.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.25 -37.04 85.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 17.5 mmm-85 -126.96 30.65 5.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.505 ' CD ' HD23 ' A' ' 135' ' ' LEU . 7.3 mt-30 -79.68 140.89 36.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -142.53 -79.35 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -114.89 110.52 19.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.936 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -38.24 -34.58 0.13 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 143' ' ' ALA . 93.7 t -47.09 -56.5 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 142' ' ' VAL . . . -35.89 147.62 0.17 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 0.0 111.126 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 116.38 4.54 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.737 2.291 . . . . 0.0 112.281 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 141.6 45.54 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 129.06 17.01 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.262 . . . . 0.0 112.38 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -153.42 144.48 16.15 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.655 0.74 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.492 ' O ' ' N ' ' A' ' 150' ' ' ASP . 53.8 Cg_endo -69.83 4.46 2.21 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 148' ' ' PRO . . . -36.85 92.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 148' ' ' PRO . 1.1 t0 -156.55 121.9 4.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 110.837 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.518 ' C ' HD12 ' A' ' 152' ' ' ILE . 41.7 mm-40 -153.37 126.28 8.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.649 ' N ' HD12 ' A' ' 152' ' ' ILE . 3.3 mp -122.75 110.68 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -74.92 142.87 43.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 52.6 p -174.36 172.78 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 124.21 88.09 0.79 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.53 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 150.68 68.68 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.721 2.281 . . . . 0.0 112.322 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 11.2 t -147.2 147.15 30.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 19.2 m -127.29 128.23 45.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.488 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -146.39 145.7 30.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.8 m -51.88 101.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 148.82 98.56 0.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 4' ' ' GLY . 86.8 p -34.56 104.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.9 0.381 . . . . 0.0 110.876 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.2 p -64.04 125.0 23.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.467 ' O ' ' HE2' ' A' ' 92' ' ' MET . . . 91.76 96.02 1.32 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.37 177.71 4.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.635 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . -98.03 163.02 12.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.049 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 11' ' ' ASN . 60.4 t -122.55 91.09 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 10' ' ' VAL . 1.6 m-80 -35.34 123.03 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.2 t -85.9 111.07 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -133.28 90.94 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.978 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.5 p -107.34 173.51 6.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.5 t -74.29 -25.47 59.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.089 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.9 m 49.43 53.5 12.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -78.06 -31.4 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.16 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.5 p -84.81 -35.94 21.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m 51.44 25.03 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.413 ' O ' ' CD ' ' A' ' 20' ' ' GLU . 2.5 pp20? -97.19 116.07 28.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -91.88 138.11 31.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.4 mt -49.74 176.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 24' ' ' ARG . 88.4 p -110.84 153.59 25.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 23' ' ' SER . 22.3 ptt-85 -36.04 -45.69 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -54.35 -64.81 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -56.72 -54.0 51.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.663 ' SD ' HG23 ' A' ' 115' ' ' ILE . 3.7 mmt -44.48 -44.94 8.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.46 HD11 ' CA ' ' A' ' 41' ' ' LYS . 28.4 mt -77.76 -35.45 51.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.55 -43.43 97.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.464 ' CD2' ' HG2' ' A' ' 119' ' ' LYS . 26.9 t90 -56.2 -47.21 78.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.458 HG12 ' HB2' ' A' ' 37' ' ' LEU . 85.8 t -71.49 -48.02 55.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -55.7 -19.22 10.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -106.2 -34.28 7.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 m -54.62 -68.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.829 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.5 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 3.4 mt -108.93 21.34 17.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 59.84 54.87 4.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.5 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.6 mm? -84.49 170.31 13.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -133.42 40.69 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.401 ' HE2' ' HB2' ' A' ' 50' ' ' ALA . 29.0 m-85 -85.48 112.38 20.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.0 m -79.24 -16.88 55.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.187 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.46 ' CA ' HD11 ' A' ' 28' ' ' LEU . 34.1 mttm -139.53 147.07 40.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.519 HG13 ' CE1' ' A' ' 112' ' ' PHE . 8.4 mm -58.77 -44.58 90.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -48.76 -35.57 14.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -51.59 -49.27 62.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 46' ' ' CYS . 15.4 mt -40.44 -30.09 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 45' ' ' LEU . 30.2 p -34.51 -40.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 46' ' ' CYS . 6.8 t -34.34 -48.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 104.62 -48.6 0.97 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -34.78 -54.91 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.401 ' HB2' ' HE2' ' A' ' 39' ' ' TYR . . . -42.62 -55.95 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -55.52 -42.28 74.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.948 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 14.4 m -61.99 -53.68 52.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.412 ' HB3' HD13 ' A' ' 35' ' ' LEU . 49.8 tt0 -51.58 -27.25 10.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -72.81 -42.99 63.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 52.9 mmm -53.17 -41.27 65.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.48 -46.36 86.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.6 ttm -59.65 -57.71 11.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.648 HD21 ' CD1' ' A' ' 122' ' ' PHE . 39.7 mt -59.69 -66.56 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.44 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 2.3 m-85 -109.51 107.21 59.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.681 0.753 . . . . 0.0 110.879 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.3 Cg_endo -69.8 141.88 46.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.75 28.01 73.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.471 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.9 p -108.58 -34.7 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.361 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.0 p -121.45 158.44 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.429 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 4.1 t-160 -111.66 98.01 7.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.9 -35.16 80.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.429 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -49.64 -38.7 33.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.404 ' O ' ' NE2' ' A' ' 80' ' ' HIS . 11.4 mtpt -82.32 -21.17 36.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 64' ' ' HIS . 81.3 t -71.58 133.19 32.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.477 ' HE2' ' CG ' ' A' ' 80' ' ' HIS . 27.7 mtmt -101.78 104.95 15.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -74.48 -41.12 61.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -82.76 40.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.02 119.59 19.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.135 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -115.25 -39.17 3.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.6 mt -78.26 164.57 24.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.514 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 2.6 tp10 -63.5 -60.53 3.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.504 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.0 p80 -45.38 -46.4 13.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.504 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 28.7 mt-10 -48.17 -43.83 31.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.514 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 21.9 m-85 -55.35 -46.75 76.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.954 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' PHE . 3.2 mp -60.24 -53.64 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.477 ' CG ' ' HE2' ' A' ' 69' ' ' LYS . 36.4 t60 -39.39 -51.32 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 81' ' ' ASN . 0.3 OUTLIER -59.87 -35.93 75.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 79' ' ' ILE . 18.9 m-85 -73.91 -33.77 64.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -55.48 -59.66 4.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.1 p -60.36 -29.2 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.5 tp -67.42 -46.6 72.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.465 ' NE2' ' HB ' ' A' ' 98' ' ' ILE . 10.3 mm-40 -48.98 -38.31 22.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.95 -37.62 77.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.085 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.99 -34.94 79.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -67.58 -51.99 43.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 91' ' ' LYS . 8.2 mmmm -64.87 -44.49 89.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 90' ' ' LYS . 40.4 mttm -33.75 -44.46 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.635 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 14.2 ptp -98.26 -45.23 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.38 30.45 0.78 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.588 HG12 ' H ' ' A' ' 96' ' ' LYS . 72.5 t -57.73 116.66 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 111.165 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -82.71 38.59 0.58 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.588 ' H ' HG12 ' A' ' 94' ' ' VAL . 21.9 tptt -126.19 99.03 5.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.0 mm -60.78 141.42 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.153 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.465 ' HB ' ' NE2' ' A' ' 86' ' ' GLN . 69.0 mt -102.79 99.11 12.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.607 0.718 . . . . 0.0 111.123 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 83.2 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.752 2.301 . . . . 0.0 112.312 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.803 ' O ' HG22 ' A' ' 104' ' ' VAL . 87.4 t -73.83 -58.28 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.088 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -41.95 -24.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 100' ' ' VAL . 14.6 mttt -102.17 -47.42 4.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 103' ' ' LEU . 14.2 mt -55.17 -48.93 73.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.962 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.803 HG22 ' O ' ' A' ' 100' ' ' VAL . 22.1 m -54.03 -27.51 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -65.54 -27.63 68.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.88 35.06 20.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 108' ' ' PHE . 34.4 mttm -71.56 97.19 1.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.826 0.346 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.596 ' CE2' ' CZ ' ' A' ' 112' ' ' PHE . 5.0 t80 -34.59 -37.47 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 107' ' ' LYS . 3.6 tp-100 -74.58 -71.0 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -45.41 -21.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.426 ' O ' HG22 ' A' ' 115' ' ' ILE . 2.4 m-80 -83.4 -41.7 17.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.596 ' CZ ' ' CE2' ' A' ' 108' ' ' PHE . 2.5 m-85 -52.11 -55.28 21.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -52.19 -42.7 63.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -63.04 -70.66 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.663 HG23 ' SD ' ' A' ' 27' ' ' MET . 7.9 tp -53.66 -27.77 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -64.52 -53.32 49.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.562 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 3.8 t90 -71.94 -31.75 66.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -56.65 -35.77 68.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.464 ' HG2' ' CD2' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -62.53 -60.27 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.47 -42.42 91.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -64.3 -24.37 67.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.648 ' CD1' HD21 ' A' ' 58' ' ' LEU . 1.6 t80 -73.92 -40.72 62.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.03 -33.57 63.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.48 -30.47 62.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.072 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.436 ' OD1' HG23 ' A' ' 10' ' ' VAL . 3.3 m-80 -105.77 -47.41 3.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -43.37 115.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 128' ' ' GLY . 10.5 t70 -114.43 77.28 1.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 127' ' ' ASP . . . 34.51 73.02 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.459 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -137.5 136.95 38.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -89.9 158.75 17.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -152.05 150.88 30.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -107.18 92.08 7.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -23.95 30.48 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.743 2.295 . . . . 0.0 112.362 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 46.4 mt -75.84 -57.4 3.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 86.2 mt -39.96 -42.4 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -43.49 -43.16 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -118.45 45.16 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -105.69 105.17 15.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -79.47 -58.02 3.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.466 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -127.92 166.34 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.903 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -91.49 -43.52 9.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 90.6 t -38.81 -46.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -42.05 139.84 1.64 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.605 0.716 . . . . 0.0 111.041 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 142.65 48.36 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.668 2.246 . . . . 0.0 112.34 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 134.08 27.14 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.331 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 159.23 54.16 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.659 2.239 . . . . 0.0 112.348 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.76 135.65 19.71 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 81.64 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.24 . . . . 0.0 112.324 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 158.24 -99.0 0.18 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 6.1 t0 71.09 36.97 1.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 110.839 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -108.18 124.16 49.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 69.5 mt -94.05 124.01 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -108.46 139.06 43.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 58.0 p -116.38 -43.15 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 79.95 131.05 0.88 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 160.45 49.64 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.656 2.237 . . . . 0.0 112.324 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 5.9 m -74.37 116.41 15.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.3 t -66.22 -58.05 6.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.816 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.7 p -90.33 146.56 24.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.93 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -121.63 108.56 13.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.48 106.85 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.2 p -90.0 118.41 29.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.915 0.388 . . . . 0.0 110.826 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 p -118.01 178.77 4.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.14 88.49 1.5 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.07 174.81 10.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.778 0.323 . . . . 0.0 110.847 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.76 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . -97.4 166.2 11.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.595 HG23 ' OD1' ' A' ' 125' ' ' ASN . 60.6 t -128.63 87.15 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 10' ' ' VAL . 1.0 OUTLIER -34.03 142.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -107.24 85.35 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.548 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -117.05 96.85 5.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 t -166.22 -179.62 5.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.836 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 15' ' ' THR . 13.8 t -82.45 50.93 1.73 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 t -89.02 33.9 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 18' ' ' THR . 58.4 t -104.74 -59.41 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.434 HG23 ' N ' ' A' ' 19' ' ' SER . 10.2 t -36.28 -42.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.434 ' N ' HG23 ' A' ' 18' ' ' THR . 9.7 t -48.64 146.43 3.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -65.8 100.78 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -52.91 148.47 7.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.718 HD22 ' HB3' ' A' ' 26' ' ' ASP . 64.7 mt -71.71 159.27 34.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 24' ' ' ARG . 27.5 p -111.18 162.86 14.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 23' ' ' SER . 15.4 ptt-85 -34.58 -37.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 23' ' ' SER . 41.7 t-80 -64.38 -72.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.718 ' HB3' HD22 ' A' ' 22' ' ' LEU . 76.2 m-20 -51.64 -48.03 63.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.411 ' HB2' HD11 ' A' ' 42' ' ' ILE . 1.8 mmt -48.67 -47.49 40.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 mt -72.35 -51.14 21.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.21 -44.21 32.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.569 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 16.3 t90 -52.62 -40.71 63.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 37' ' ' LEU . 58.9 t -80.55 -46.26 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.167 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -57.67 -12.1 2.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -111.61 -33.37 6.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 m -58.07 -66.24 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.653 HD13 ' HB3' ' A' ' 53' ' ' GLN . 6.2 mt -108.84 17.38 21.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 64.06 54.93 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.491 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.6 mm? -86.08 165.79 16.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -130.9 31.86 4.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -72.1 125.83 28.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.431 ' C ' ' HG3' ' A' ' 41' ' ' LYS . 6.3 m -92.5 -5.52 51.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.431 ' HG3' ' C ' ' A' ' 40' ' ' THR . 27.3 mtmt -151.68 143.12 23.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.57 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 6.1 mm -58.5 -33.56 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.52 -26.45 65.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -60.94 -37.09 81.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.482 HD13 HD13 ' A' ' 115' ' ' ILE . 19.5 mt -53.14 -20.57 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 23.6 p -46.34 -34.97 4.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.1 m -45.19 -39.13 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 92.17 -38.23 3.23 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -35.48 -51.72 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 111.11 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.33 -58.0 9.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -46.89 -34.92 5.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.526 ' HB3' HG21 ' A' ' 68' ' ' VAL . 37.8 m -69.2 -54.48 14.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.653 ' HB3' HD13 ' A' ' 35' ' ' LEU . 20.2 tt0 -55.11 -22.99 18.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -71.42 -43.34 66.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.1 mmm -58.84 -31.78 68.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -63.5 -45.75 89.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.6 ttp -67.78 -54.66 17.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.4 mt -61.47 -65.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.428 ' CD1' ' HE1' ' A' ' 92' ' ' MET . 2.3 m-85 -114.23 98.46 48.54 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.639 0.733 . . . . 0.0 110.867 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.6 Cg_endo -69.73 144.27 53.61 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.355 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.1 15.37 71.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -107.3 -34.21 7.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.356 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.1 p -116.61 149.27 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.554 ' O ' HG23 ' A' ' 68' ' ' VAL . 3.1 t-160 -108.67 107.89 18.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mp -76.37 -32.97 58.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -49.15 -41.48 36.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -80.16 -20.74 44.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 64' ' ' HIS . 69.9 t -70.23 135.98 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.9 mttm -103.17 100.57 10.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -71.67 -35.62 70.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -89.53 33.51 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.448 ' HB1' ' HB3' ' A' ' 77' ' ' GLU . . . -68.97 121.31 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.053 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 73' ' ' LYS . 2.1 tmmm? -122.45 -19.55 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.6 mt -94.46 162.02 13.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.569 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 56.9 tt0 -61.54 -60.51 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.428 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.6 p80 -47.03 -40.72 15.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.448 ' HB3' ' HB1' ' A' ' 72' ' ' ALA . 25.6 mt-10 -56.36 -35.93 68.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 20.7 m-85 -62.52 -38.13 88.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.455 HG13 HG11 ' A' ' 104' ' ' VAL . 3.8 mp -71.8 -48.41 51.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -44.84 -54.28 6.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -56.72 -30.1 63.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.479 ' CD2' HG13 ' A' ' 100' ' ' VAL . 10.3 m-85 -77.75 -35.85 51.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -52.28 -62.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.7 p -57.88 -38.92 68.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.093 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 30.3 tp -59.1 -45.67 90.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.466 ' NE2' ' HB ' ' A' ' 98' ' ' ILE . 7.5 mm-40 -51.48 -44.23 62.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.61 -40.64 69.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.32 -35.49 75.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.45 ' CZ ' HD11 ' A' ' 98' ' ' ILE . 3.2 m-85 -64.22 -51.34 64.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -66.52 -41.53 88.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 90' ' ' LYS . 25.9 mttp -34.35 -36.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.76 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 12.6 ptp -107.28 -42.12 4.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 124.08 39.71 0.48 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.54 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.692 HG12 ' H ' ' A' ' 96' ' ' LYS . 41.2 t -64.78 118.42 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 111.121 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -83.36 37.57 0.57 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.692 ' H ' HG12 ' A' ' 94' ' ' VAL . 13.1 tptm -129.14 105.95 8.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 80.8 mt -66.37 140.24 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.466 ' HB ' ' NE2' ' A' ' 86' ' ' GLN . 62.4 mt -99.69 100.52 11.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 111.133 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 83.6 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.362 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.639 ' O ' HG22 ' A' ' 104' ' ' VAL . 91.0 t -75.07 -52.22 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -48.31 -23.52 0.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -102.48 -47.27 4.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 15.4 mt -53.48 -47.29 69.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 100' ' ' VAL . 26.9 m -53.3 -35.3 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -52.92 -34.15 53.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.31 3.77 64.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.515 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -45.68 106.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.329 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.587 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 2.4 t80 -44.74 -38.7 4.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.412 ' C ' ' N ' ' A' ' 111' ' ' ASN . 21.7 tp60 -67.41 -71.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.74 -21.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.437 ' O ' HG22 ' A' ' 115' ' ' ILE . 3.8 m-80 -81.35 -42.15 20.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.587 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 3.7 m-85 -56.34 -46.38 79.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -56.58 -48.4 77.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -59.49 -70.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.558 HG23 ' N ' ' A' ' 116' ' ' GLN . 9.5 tp -49.89 -46.78 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.558 ' N ' HG23 ' A' ' 115' ' ' ILE . 18.1 tp60 -48.86 -51.0 32.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.539 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 10.5 t90 -77.83 -20.6 52.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -66.95 -25.95 66.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.569 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 24.3 tptt -71.0 -60.96 1.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -57.32 -46.18 83.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.517 ' HE1' ' HB1' ' A' ' 9' ' ' ALA . 25.8 t80 -59.38 -19.82 49.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.73 ' CZ ' ' CD2' ' A' ' 126' ' ' TYR . 0.3 OUTLIER -86.34 -30.43 22.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -77.52 -34.52 53.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -52.96 -30.1 32.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.595 ' OD1' HG23 ' A' ' 10' ' ' VAL . 4.6 m-80 -108.53 -44.59 4.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.73 ' CD2' ' CZ ' ' A' ' 122' ' ' PHE . 39.3 t80 -56.97 129.95 43.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -115.17 -41.24 3.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 155.88 58.47 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.19 107.6 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.35 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.87 132.72 54.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -124.54 135.36 53.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.439 ' CG ' ' HG ' ' A' ' 135' ' ' LEU . 2.0 t-20 -101.21 102.4 20.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.438 ' HG3' ' C ' ' A' ' 35' ' ' LEU . 53.7 Cg_endo -69.78 -35.44 12.58 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.287 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.6 -43.8 97.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.439 ' HG ' ' CG ' ' A' ' 132' ' ' ASN . 49.2 mt -54.65 -28.09 44.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.952 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.93 -27.92 69.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -126.81 33.42 4.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.426 ' HG3' HD23 ' A' ' 135' ' ' LEU . 16.0 mm-40 -93.88 170.28 9.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -134.59 -44.79 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -136.2 151.23 49.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.888 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -89.87 -49.85 6.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.835 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 72.4 t -37.92 -43.78 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -44.11 147.85 0.89 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.616 0.722 . . . . 0.0 111.126 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' PRO . . . . . 0.414 ' HA ' ' HD2' ' A' ' 145' ' ' PRO . 53.4 Cg_endo -69.78 110.37 2.54 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.648 2.232 . . . . 0.0 112.337 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 144' ' ' PRO . 53.6 Cg_endo -69.78 156.03 64.33 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.709 2.273 . . . . 0.0 112.339 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 161.39 46.12 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.674 2.249 . . . . 0.0 112.286 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -39.72 131.93 1.42 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.718 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -49.8 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.647 2.232 . . . . 0.0 112.328 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.7 65.49 1.01 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -88.72 35.57 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.789 0.328 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -53.61 146.91 12.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 26.7 mt -92.52 109.17 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -98.14 149.01 22.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 49.6 m -158.18 168.0 28.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 145.94 144.38 4.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 95.39 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.686 2.258 . . . . 0.0 112.357 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.2 m -57.75 -61.32 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 32.9 p -45.92 -43.23 13.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.512 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -95.41 127.22 41.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.917 0.389 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -99.81 -51.04 3.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.59 177.81 21.45 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -130.64 110.71 11.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -142.7 143.43 32.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.811 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.35 -19.57 39.53 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.524 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 ptp -132.64 166.44 22.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.768 0.318 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.403 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . -75.13 157.41 34.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 11' ' ' ASN . 50.3 t -126.54 87.54 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.511 ' CB ' ' CE2' ' A' ' 13' ' ' TYR . 1.7 m-80 -34.4 127.31 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 t -88.24 77.26 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.511 ' CE2' ' CB ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -112.61 38.66 2.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.979 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.2 m -85.17 179.44 7.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.866 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.1 t -41.05 130.07 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.1 p -46.22 162.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.9 m -89.61 -176.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.3 p -134.51 -44.16 0.76 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 t -75.34 167.26 22.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -81.16 -61.02 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -174.58 149.6 1.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.7 mt -57.65 -179.63 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 26' ' ' ASP . 66.4 m -108.95 143.17 38.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 23' ' ' SER . 5.3 ptt180 -34.89 -35.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 23' ' ' SER . 52.3 t-80 -65.01 -52.29 56.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 23' ' ' SER . 14.6 m-20 -68.9 -48.19 63.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.71 ' SD ' HG23 ' A' ' 115' ' ' ILE . 4.1 mmt -52.78 -46.09 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.578 HD11 ' CA ' ' A' ' 41' ' ' LYS . 26.9 mt -76.68 -50.88 12.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.67 -36.1 15.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.574 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 11.4 t90 -62.32 -44.56 96.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.507 HG12 ' HB2' ' A' ' 37' ' ' LEU . 98.3 t -74.14 -44.04 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -50.54 -25.35 4.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.8 -36.53 9.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.7 m -47.56 -75.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.594 HD22 ' HG2' ' A' ' 53' ' ' GLN . 2.3 mt -106.16 21.77 16.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 62.94 54.96 2.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.507 ' HB2' HG12 ' A' ' 31' ' ' VAL . 3.2 mm? -87.72 161.83 17.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -129.45 41.92 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -81.66 131.93 35.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.526 HG23 ' HG3' ' A' ' 41' ' ' LYS . 15.1 t -95.35 -9.31 33.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.105 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.578 ' CA ' HD11 ' A' ' 28' ' ' LEU . 22.9 mtmt -150.2 147.31 27.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.569 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 6.2 mm -55.81 -48.52 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 9.4 pt-20 -43.2 -35.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.431 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -52.31 -42.64 63.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.561 HD13 HD13 ' A' ' 115' ' ' ILE . 22.1 mt -49.99 -32.79 16.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' SER . 14.3 p -40.42 -33.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' CYS . 2.8 p -36.0 -44.53 0.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 103.81 -48.58 1.0 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.504 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 50' ' ' ALA . . . -36.9 -65.21 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.762 0.315 . . . . 0.0 111.08 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 49' ' ' ALA . . . -35.73 -66.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.067 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -42.49 -39.32 2.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 49' ' ' ALA . 7.7 m -66.97 -51.0 60.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.877 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.594 ' HG2' HD22 ' A' ' 35' ' ' LEU . 56.4 tt0 -57.67 -23.29 50.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -71.93 -42.27 66.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 27.8 mmm -58.45 -39.69 80.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -61.53 -36.91 81.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.0 ttm -69.34 -56.52 7.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' ' 125' ' ' ASN . 39.5 mt -66.67 -58.97 4.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -111.93 96.92 35.96 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.641 0.734 . . . . 0.0 110.95 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 144.62 54.71 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.706 2.27 . . . . 0.0 112.312 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.55 26.57 68.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.445 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.9 t -112.99 -35.41 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.6 p -116.48 150.78 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.552 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 6.4 t-80 -101.85 117.37 34.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.59 -31.73 18.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.552 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 13.2 mmm180 -56.54 -18.82 12.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.45 ' HG3' ' ND1' ' A' ' 64' ' ' HIS . 15.1 mttt -100.93 -9.26 21.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 55.9 t -83.41 144.2 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.561 ' HZ3' ' HG2' ' A' ' 77' ' ' GLU . 13.3 mttp -106.64 103.33 12.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -76.34 -30.51 57.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -95.63 33.57 1.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.44 132.66 48.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -129.24 -30.63 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.5 mt -83.19 166.31 18.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.581 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 14.6 tt0 -70.49 -57.52 4.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -48.47 -38.51 20.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.813 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.561 ' HG2' ' HZ3' ' A' ' 69' ' ' LYS . 27.4 mt-10 -57.58 -32.51 67.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.581 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 15.9 m-30 -62.28 -42.37 99.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.724 HG13 HG11 ' A' ' 104' ' ' VAL . 4.2 mp -67.35 -46.32 83.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -46.58 -59.01 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.91 -32.6 61.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.734 ' CD2' HG13 ' A' ' 100' ' ' VAL . 6.0 m-85 -71.77 -41.39 68.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -52.54 -71.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.5 p -44.97 -37.52 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.3 tp -66.7 -37.85 85.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -55.18 -41.26 71.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.44 -39.93 70.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.93 -36.1 74.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.49 ' CE1' HD11 ' A' ' 98' ' ' ILE . 3.3 m-85 -62.49 -54.11 44.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' MET . 62.2 mmtt -66.2 -39.24 89.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 90' ' ' LYS . 3.1 mtpm? -34.15 -35.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' LYS . 12.6 ptp -108.16 -47.16 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.845 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 135.52 29.62 0.37 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.765 HG12 ' H ' ' A' ' 96' ' ' LYS . 97.7 t -62.52 115.5 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.338 . . . . 0.0 111.161 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -84.69 26.29 0.83 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.765 ' H ' HG12 ' A' ' 94' ' ' VAL . 2.5 tmtm? -111.41 92.82 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.3 mm -60.28 129.52 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.49 HD11 ' CE1' ' A' ' 89' ' ' PHE . 52.4 mt -86.34 109.68 25.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 111.148 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 98' ' ' ILE . 54.0 Cg_endo -69.76 81.11 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.331 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.734 HG13 ' CD2' ' A' ' 82' ' ' PHE . 42.9 t -74.86 -62.6 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -40.36 -25.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 100' ' ' VAL . 16.2 mttm -99.18 -51.02 3.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 103' ' ' LEU . 12.2 mt -51.53 -50.55 59.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.724 HG11 HG13 ' A' ' 79' ' ' ILE . 22.6 m -51.66 -35.27 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -50.47 -43.3 55.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 107' ' ' LYS . . . 106.88 -14.26 41.25 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.492 ' N ' ' HD2' ' A' ' 107' ' ' LYS . 5.9 mptt -34.18 121.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.569 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 2.4 t80 -60.95 -21.24 63.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 111' ' ' ASN . 3.6 tp-100 -84.18 -71.06 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.55 -23.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 109' ' ' GLN . 4.0 m-80 -81.46 -46.53 14.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.568 ' CE1' HG13 ' A' ' 42' ' ' ILE . 3.3 m-85 -52.32 -50.78 61.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -52.31 -38.47 58.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -73.48 -69.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.71 HG23 ' SD ' ' A' ' 27' ' ' MET . 10.1 tp -52.54 -25.57 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 5.1 tp-100 -68.81 -46.06 69.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.567 ' CZ2' ' HG3' ' A' ' 96' ' ' LYS . 5.1 t90 -78.06 -31.25 50.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -57.65 -27.47 62.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.574 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 17.6 tptm -63.04 -68.28 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.4 pttt -54.83 -44.02 73.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -56.01 -34.94 66.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.4 ' CD1' HD21 ' A' ' 58' ' ' LEU . 1.2 t80 -67.72 -38.67 83.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -71.22 -38.78 71.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.58 -32.25 18.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.491 ' HB2' HD22 ' A' ' 58' ' ' LEU . 1.6 m-80 -102.32 -45.71 5.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -63.93 129.5 40.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.06 -40.37 3.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 160.2 41.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.505 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -90.41 176.88 6.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.99 133.36 55.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -136.9 145.95 44.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.955 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.401 ' HA ' ' HD2' ' A' ' 133' ' ' PRO . 3.5 m-80 -107.18 93.76 9.96 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 132' ' ' ASN . 53.9 Cg_endo -69.72 -17.62 37.66 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.371 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.473 HD22 ' HG3' ' A' ' 146' ' ' PRO . 31.2 mt -81.64 -56.43 4.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 77.9 mt -45.57 -32.47 2.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -50.72 -39.58 52.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -125.12 43.01 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -99.16 176.94 5.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 172.14 -92.97 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.97 156.78 30.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 110.923 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 142' ' ' VAL . 14.5 m-20 -90.03 -45.1 9.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 141' ' ' ASP . 86.3 t -34.69 -49.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -44.53 138.59 3.77 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 111.042 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 137.22 34.83 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 146.29 59.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.335 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' PRO . . . . . 0.473 ' HG3' HD22 ' A' ' 134' ' ' LEU . 53.1 Cg_endo -69.85 175.95 7.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.282 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -140.36 145.73 42.45 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.732 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -42.52 3.3 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 48.91 96.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -156.2 121.46 4.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.767 0.318 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -83.85 148.91 26.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.57 HG23 ' O ' ' A' ' 152' ' ' ILE . 19.4 tt -82.71 118.38 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.172 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -167.65 115.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 68.9 m -151.73 116.44 5.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.802 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 160.71 127.46 0.89 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.508 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 115.73 4.24 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.637 2.225 . . . . 0.0 112.324 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 26.7 t -52.71 148.43 7.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 8.5 t -110.62 124.48 51.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -133.96 145.87 49.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.809 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.2 m -149.55 117.9 6.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.0 135.75 4.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.502 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -64.68 -66.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.359 . . . . 0.0 110.889 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.0 p -65.11 116.27 6.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.903 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.43 -111.94 0.27 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.685 ' HA ' ' HE2' ' A' ' 92' ' ' MET . 0.0 OUTLIER -90.52 166.38 13.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 110.89 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.725 ' HB2' HG22 ' A' ' 94' ' ' VAL . . . -65.53 112.27 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' ASN . 86.5 t -78.92 89.74 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.143 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.531 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 1.7 m-80 -37.09 105.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.446 HG21 ' HA ' ' A' ' 121' ' ' PHE . 33.9 t -70.06 91.47 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.531 ' CE1' ' HB3' ' A' ' 11' ' ' ASN . 4.1 m-85 -103.68 32.62 3.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.1 m -132.12 -176.31 4.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.1 p -81.82 175.97 9.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 m -54.54 160.34 1.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.573 ' O ' HG22 ' A' ' 17' ' ' VAL . 5.7 p -100.49 -4.8 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.419 HG23 HG13 ' A' ' 17' ' ' VAL . 66.1 p -122.31 -65.23 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' GLU . 12.5 t -154.8 163.82 39.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 19' ' ' SER . 4.3 mm-40 -35.87 -43.81 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -170.2 136.26 1.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.463 HD11 ' HZ3' ' A' ' 119' ' ' LYS . 63.5 mt -84.84 -178.75 6.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m -121.79 163.73 18.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -40.07 -43.44 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -55.32 -71.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 29' ' ' ALA . 84.7 m-20 -52.66 -58.3 7.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.7 mmt -40.93 -42.41 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.9 mt -81.31 -29.34 34.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -67.79 -39.52 84.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.05 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.561 ' CD1' ' HE3' ' A' ' 119' ' ' LYS . 26.4 t90 -62.14 -38.18 88.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.5 t -81.88 -42.34 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -62.01 -20.59 64.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.57 -22.02 14.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.6 m -73.4 -63.52 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.671 HD11 ' CD2' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -114.53 39.28 2.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.444 ' ND1' ' C ' ' A' ' 35' ' ' LEU . 25.1 p-80 40.83 54.34 3.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.522 ' HA ' HD13 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -81.56 154.89 25.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -123.13 36.19 4.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -75.59 125.0 28.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 40' ' ' THR . 29.5 m -88.64 -11.49 45.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -150.97 153.58 35.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.506 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 3.6 mm -63.44 -31.24 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.402 ' O ' ' SG ' ' A' ' 46' ' ' CYS . 6.2 pt-20 -62.69 -25.83 68.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -64.18 -37.2 86.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 46' ' ' CYS . 21.1 mt -49.34 -31.68 9.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 47' ' ' SER . 31.8 p -36.61 -35.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.504 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 79.3 p -31.58 -51.58 0.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.96 -36.26 4.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.411 ' HA ' HG13 ' A' ' 68' ' ' VAL . . . -52.01 -56.53 13.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.777 0.322 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -40.49 -58.39 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -49.16 -39.45 29.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.3 m -63.19 -60.13 3.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.62 ' HB3' HD13 ' A' ' 35' ' ' LEU . 14.6 tp60 -46.06 -25.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.671 ' CD2' HD11 ' A' ' 35' ' ' LEU . 7.6 m-85 -75.13 -47.47 28.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.465 ' HG3' ' CD1' ' A' ' 85' ' ' LEU . 75.8 mmm -46.13 -46.78 17.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.52 -45.47 93.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.564 ' HA ' ' CD2' ' A' ' 131' ' ' TYR . 4.0 ttm -54.19 -60.55 3.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.49 -58.65 7.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -118.57 108.85 40.81 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.656 0.741 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.89 46.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.267 . . . . 0.0 112.389 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.92 29.51 73.64 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.9 p -111.49 -31.84 6.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.86 0.362 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 p -124.1 162.51 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 66' ' ' ARG . 3.1 t-160 -113.18 95.7 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.484 HD11 ' HA ' ' A' ' 53' ' ' GLN . 1.8 mp -62.95 -29.69 70.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.559 ' HB2' ' CD2' ' A' ' 64' ' ' HIS . 7.0 mpt_? -58.75 -38.51 78.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.419 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 0.7 OUTLIER -84.3 -15.47 46.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.411 HG13 ' HA ' ' A' ' 49' ' ' ALA . 29.0 t -66.34 129.9 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.519 ' HE3' ' CD2' ' A' ' 80' ' ' HIS . 19.8 mmtp -90.36 93.09 9.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -78.09 -34.43 50.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -100.25 31.81 3.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.11 122.19 14.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.056 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -115.67 -35.93 4.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.2 mt -82.65 168.77 16.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 24.9 tt0 -66.39 -57.83 6.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.414 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 2.7 p80 -49.45 -39.4 33.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.414 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 26.6 mt-10 -57.96 -33.3 68.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.573 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 23.1 m-85 -61.8 -39.7 92.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 82' ' ' PHE . 4.7 mp -72.95 -48.5 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.519 ' CD2' ' HE3' ' A' ' 69' ' ' LYS . 24.8 t60 -33.81 -60.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 47' ' ' SER . 18.7 p30 -51.94 -41.9 62.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.7 ' CD2' HG13 ' A' ' 100' ' ' VAL . 8.1 m-85 -65.13 -36.39 84.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -56.02 -61.26 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.5 p -59.07 -31.17 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.465 ' CD1' ' HG3' ' A' ' 55' ' ' MET . 38.6 tp -68.42 -47.75 66.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -48.88 -35.62 15.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.12 -44.14 96.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.41 -28.9 69.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -69.24 -52.39 28.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 91' ' ' LYS . 43.3 mmtt -69.31 -39.89 77.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 90' ' ' LYS . 34.4 mttm -34.69 -52.87 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.685 ' HE2' ' HA ' ' A' ' 8' ' ' MET . 3.7 ptm -88.84 -48.28 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.33 51.29 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.725 HG22 ' HB2' ' A' ' 9' ' ' ALA . 57.4 t -80.98 117.13 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 111.152 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -82.19 37.47 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.565 ' HG2' ' CH2' ' A' ' 117' ' ' TRP . 31.8 tptt -124.54 109.21 12.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 23.2 mm -68.93 142.07 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 70.4 mt -103.43 96.84 9.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.686 0.755 . . . . 0.0 111.172 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 82.46 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.672 2.248 . . . . 0.0 112.371 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.7 HG13 ' CD2' ' A' ' 82' ' ' PHE . 61.1 t -71.46 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.109 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -41.6 -24.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 100' ' ' VAL . 12.0 mttt -99.69 -45.12 5.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.416 HD11 ' CD1' ' A' ' 114' ' ' PHE . 15.8 mt -57.73 -47.43 82.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 100' ' ' VAL . 28.3 m -53.31 -26.57 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.19 -34.33 77.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.53 34.59 13.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.44 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -74.66 104.91 5.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.663 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 2.8 t80 -39.9 -34.94 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.502 ' C ' ' CD ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -71.05 -72.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -48.76 -21.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.496 ' O ' HG22 ' A' ' 115' ' ' ILE . 7.5 m-80 -79.39 -50.03 11.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.663 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 2.5 m-85 -46.34 -48.36 18.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -55.11 -61.73 2.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.416 ' CD1' HD11 ' A' ' 103' ' ' LEU . 5.4 t80 -43.35 -71.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.496 HG22 ' O ' ' A' ' 111' ' ' ASN . 5.7 tp -51.7 -42.12 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.152 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.504 ' CG ' ' O ' ' A' ' 112' ' ' PHE . 33.5 mm-40 -52.74 -61.01 2.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.565 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 7.9 t90 -62.91 -29.99 71.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.4 ' HE2' ' CD2' ' A' ' 54' ' ' PHE . 1.6 t80 -58.82 -34.22 71.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.561 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 22.3 tptm -60.75 -62.9 1.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -57.31 -45.27 84.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.446 ' HA ' HG21 ' A' ' 12' ' ' VAL . 13.9 t80 -57.33 -29.05 63.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.415 ' O ' ' CB ' ' A' ' 126' ' ' TYR . 0.7 OUTLIER -73.08 -41.31 64.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -71.79 -32.03 67.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -55.25 -39.49 69.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.064 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -100.52 -46.92 5.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.415 ' CB ' ' O ' ' A' ' 122' ' ' PHE . 65.5 t80 -52.94 109.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -105.29 40.24 1.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 67.32 54.14 21.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 11.3 ptmm? -112.28 100.49 8.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.757 0.313 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -40.2 138.81 0.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.842 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.564 ' CD2' ' HA ' ' A' ' 57' ' ' MET . 33.8 t80 -150.59 114.11 4.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -82.78 110.75 24.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.622 0.725 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.423 ' CB ' ' HA ' ' A' ' 35' ' ' LEU . 53.3 Cg_endo -69.81 -36.73 10.15 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 135' ' ' LEU . 7.0 mt -65.18 -66.45 0.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 134' ' ' LEU . 54.5 mt -37.36 -41.4 0.42 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -42.39 -47.75 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 138' ' ' GLN . 16.4 mmm180 -86.61 -42.63 13.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 137' ' ' ARG . 96.6 mm-40 -35.08 134.26 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -145.35 -59.68 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -77.73 177.37 8.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.16 -38.01 25.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 44.3 t -131.18 -70.64 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.735 ' HB1' ' HD2' ' A' ' 144' ' ' PRO . . . -162.21 165.21 16.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.568 0.699 . . . . 0.0 111.105 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' PRO . . . . . 0.735 ' HD2' ' HB1' ' A' ' 143' ' ' ALA . 54.0 Cg_endo -69.75 167.53 24.15 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.698 2.265 . . . . 0.0 112.374 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 147.31 63.12 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.717 2.278 . . . . 0.0 112.371 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 165.61 30.42 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.732 2.288 . . . . 0.0 112.336 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -96.4 139.11 21.53 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.635 0.731 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -47.37 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.341 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 85.59 -83.1 1.63 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.468 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 58.8 47.16 13.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.774 0.321 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -83.05 48.68 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 62.2 mt -106.22 120.59 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -109.17 -50.52 2.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.4 t 61.17 42.17 12.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.882 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -134.38 137.76 9.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.537 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 107.08 1.78 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.729 2.286 . . . . 0.0 112.332 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 68.1 p -101.31 84.69 2.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 12.7 t 66.82 41.88 2.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.51 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 p -57.99 115.31 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.831 0.348 . . . . 0.0 110.87 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 t 58.56 43.13 19.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.08 62.99 0.28 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.483 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.1 t -65.79 -54.3 28.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.887 0.375 . . . . 0.0 110.89 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -123.46 158.4 31.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.89 98.13 2.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.39 164.35 30.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.89 169.17 12.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.665 HG23 ' OD1' ' A' ' 125' ' ' ASN . 60.3 t -134.48 98.31 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.494 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 2.6 m-20 -44.5 113.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 t -77.71 95.97 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.494 ' CE1' ' HB3' ' A' ' 11' ' ' ASN . 9.5 m-85 -116.51 31.29 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 56.0 m -112.32 176.47 5.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.832 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.8 p -64.53 174.19 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.165 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 17' ' ' VAL . 60.9 p -78.34 86.39 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.844 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 18' ' ' THR . 10.5 p -36.57 -42.24 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.185 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.443 ' N ' HG13 ' A' ' 17' ' ' VAL . 12.7 t -94.1 169.92 9.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 20' ' ' GLU . 2.8 t -46.36 164.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 19' ' ' SER . 10.0 mm-40 -34.47 -39.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -173.31 127.03 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 71.8 mt -66.19 172.26 4.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 24' ' ' ARG . 6.7 m -111.44 152.24 27.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 23' ' ' SER . 4.9 ttt-85 -35.02 -40.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -58.9 -70.04 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 27' ' ' MET . 36.1 m-20 -50.07 -61.73 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' ASP . 3.4 mmt -36.44 -50.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.645 HD11 ' HA ' ' A' ' 41' ' ' LYS . 24.7 mt -69.91 -46.74 64.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.07 -46.2 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.579 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 14.3 t90 -52.44 -46.01 66.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -72.37 -45.2 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.076 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -61.14 -14.6 25.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -109.62 -31.45 7.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.7 m -58.62 -63.05 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.609 HD22 ' HG2' ' A' ' 53' ' ' GLN . 3.1 mt -113.49 18.15 17.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 63.89 53.71 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.492 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.5 mm? -85.61 158.62 20.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -119.22 34.03 5.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -76.85 123.61 26.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.9 m -93.18 -8.77 41.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.645 ' HA ' HD11 ' A' ' 28' ' ' LEU . 60.0 mttp -148.8 146.51 28.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.473 HG13 ' CE1' ' A' ' 112' ' ' PHE . 4.8 mm -58.04 -49.62 80.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -44.19 -33.39 1.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -56.52 -47.19 79.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 46' ' ' CYS . 19.1 mt -39.63 -29.34 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 47' ' ' SER . 30.1 p -37.4 -40.08 0.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' CYS . 13.1 m -35.09 -46.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 97.73 -44.12 1.87 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -34.29 -42.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.783 0.325 . . . . 0.0 111.078 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.52 -60.57 3.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -47.58 -43.19 25.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.448 ' HB3' HG21 ' A' ' 68' ' ' VAL . 4.0 m -61.01 -49.37 77.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.609 ' HG2' HD22 ' A' ' 35' ' ' LEU . 55.9 tt0 -61.92 -23.06 66.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -72.88 -48.05 40.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 44.6 mmm -49.05 -37.74 21.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.77 -55.74 20.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.519 ' HG3' ' CG ' ' A' ' 131' ' ' TYR . 4.4 ttm -51.16 -57.58 8.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.5 -57.21 10.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -118.74 96.87 50.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.67 0.748 . . . . 0.0 110.907 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.6 Cg_endo -69.72 142.37 47.96 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.97 20.54 78.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.0 m -111.13 -34.28 6.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.852 0.358 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.9 p -116.78 154.0 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.526 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 4.5 t-160 -107.71 104.16 13.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 mp -73.57 -18.93 61.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.526 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 2.4 tpt180 -63.59 -38.05 89.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -84.62 -15.57 45.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.448 HG21 ' HB3' ' A' ' 52' ' ' CYS . 61.0 t -74.54 129.22 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.136 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.464 ' HE2' ' CD2' ' A' ' 80' ' ' HIS . 29.3 mttm -98.23 101.84 13.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -73.08 -36.76 66.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -86.54 39.8 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.74 131.39 38.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -130.79 -33.48 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.9 mt -80.85 164.18 22.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.578 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 15.4 tp10 -63.26 -61.74 2.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.422 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.7 p80 -47.07 -40.73 15.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.422 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 17.8 mt-10 -55.36 -32.65 62.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.578 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.0 m-85 -63.79 -43.81 95.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.832 HG13 HG11 ' A' ' 104' ' ' VAL . 4.1 mp -65.67 -50.64 70.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.464 ' CD2' ' HE2' ' A' ' 69' ' ' LYS . 28.0 t60 -40.32 -57.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.74 -31.99 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' ILE . 8.9 m-85 -75.36 -30.63 60.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -56.99 -64.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.9 p -55.97 -36.03 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.8 tp -59.86 -48.97 79.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.49 ' O ' ' CD ' ' A' ' 90' ' ' LYS . 11.4 mm-40 -49.55 -40.94 40.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.77 -41.11 77.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.417 ' O ' ' SD ' ' A' ' 92' ' ' MET . . . -62.48 -32.22 73.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -64.95 -41.48 95.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -75.02 -33.72 61.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -38.9 -33.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.417 ' SD ' ' O ' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -109.84 -35.93 6.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.873 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.18 39.56 0.68 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.456 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.618 HG12 ' H ' ' A' ' 96' ' ' LYS . 79.9 t -66.95 115.91 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -84.01 36.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.618 ' H ' HG12 ' A' ' 94' ' ' VAL . 14.8 tptt -126.07 102.37 7.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.8 mm -67.36 126.3 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.413 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 46.2 mt -82.11 111.01 23.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 111.083 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 98' ' ' ILE . 54.1 Cg_endo -69.75 81.94 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.409 ' CG1' HG13 ' A' ' 79' ' ' ILE . 97.4 t -74.82 -59.33 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -44.09 -22.48 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 100' ' ' VAL . 14.4 mttt -100.63 -50.13 3.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.6 mt -52.97 -47.11 68.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.832 HG11 HG13 ' A' ' 79' ' ' ILE . 17.6 m -54.68 -25.81 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -65.32 -30.87 71.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.31 23.8 46.43 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 108.94 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.59 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 2.1 t80 -44.2 -35.36 2.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -71.73 -70.75 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -48.22 -20.45 0.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.47 ' O ' HG22 ' A' ' 115' ' ' ILE . 2.5 m-80 -82.81 -42.0 18.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.59 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 2.9 m-85 -55.03 -50.34 69.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -54.96 -59.53 4.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -45.45 -70.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.548 HG23 ' N ' ' A' ' 116' ' ' GLN . 10.1 tp -50.35 -46.23 25.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.548 ' N ' HG23 ' A' ' 115' ' ' ILE . 13.3 mm-40 -48.37 -57.85 5.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -66.87 -28.78 68.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -60.72 -28.88 68.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.579 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 22.5 tptp -63.9 -61.58 2.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -58.54 -43.56 89.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -63.72 -22.4 66.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.494 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -77.9 -44.17 27.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.415 ' N ' ' CD1' ' A' ' 122' ' ' PHE . 14.2 t70 -73.11 -20.91 60.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.79 -27.03 68.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.665 ' OD1' HG23 ' A' ' 10' ' ' VAL . 20.7 m-80 -117.02 -40.05 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.83 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.569 ' CE2' ' HA2' ' A' ' 128' ' ' GLY . 29.3 t80 -34.09 -66.06 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 59.26 37.5 23.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.569 ' HA2' ' CE2' ' A' ' 126' ' ' TYR . . . 54.5 49.96 58.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 129' ' ' LYS . 5.5 ptmt -95.31 113.06 24.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.37 133.84 34.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.519 ' CG ' ' HG3' ' A' ' 57' ' ' MET . 56.2 t80 -157.25 129.15 7.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.582 ' HB3' HD12 ' A' ' 135' ' ' LEU . 1.9 t-20 -101.33 112.25 64.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.634 0.731 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.468 ' O ' ' HB3' ' A' ' 136' ' ' ALA . 53.9 Cg_endo -69.75 -45.48 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.631 2.221 . . . . 0.0 112.356 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.5 mt -52.62 -50.43 63.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.582 HD12 ' HB3' ' A' ' 132' ' ' ASN . 78.5 mt -48.95 -20.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 133' ' ' PRO . . . -60.69 -35.46 76.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.07 38.46 3.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -89.4 119.1 29.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 152.02 -58.51 0.42 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.529 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -53.08 111.71 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.818 0.342 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -58.85 -10.8 2.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.5 t -69.47 -50.64 49.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.41 137.23 97.02 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.599 0.714 . . . . 0.0 111.064 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 153.91 68.35 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 164.88 32.86 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.736 2.291 . . . . 0.0 112.334 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 120.13 6.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.642 2.228 . . . . 0.0 112.298 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -98.97 146.24 31.35 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.64 0.734 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -46.66 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.68 2.253 . . . . 0.0 112.353 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 139.31 -118.65 1.56 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -167.39 138.93 3.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.318 . . . . 0.0 110.833 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.483 ' HB3' ' CE2' ' A' ' 153' ' ' PHE . 65.9 mt-30 -143.24 131.55 22.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 72.3 mt -112.25 109.51 28.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.483 ' CE2' ' HB3' ' A' ' 151' ' ' GLN . 96.8 m-85 -111.23 103.25 11.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 31.7 p -158.73 122.09 3.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -107.67 94.08 0.87 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 95.53 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.718 2.279 . . . . 0.0 112.325 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 95.5 p -80.93 125.99 30.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.1 t -129.12 134.2 47.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 p -160.72 179.19 8.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.7 p -101.89 102.54 13.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.64 -155.78 7.42 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 t -162.32 119.72 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.947 0.403 . . . . 0.0 110.819 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 p -56.56 162.65 2.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.58 -49.97 0.9 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.412 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.5 mmt -119.85 159.24 24.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.764 0.316 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.524 ' CB ' HG22 ' A' ' 94' ' ' VAL . . . -89.64 122.88 33.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.441 HG23 ' OD1' ' A' ' 125' ' ' ASN . 89.1 t -85.46 89.62 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.17 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' VAL . 1.5 m-80 -35.93 145.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.744 HG21 ' HA ' ' A' ' 121' ' ' PHE . 21.6 t -130.26 87.02 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 1.5 p90 -124.02 33.52 5.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 m -102.99 150.18 23.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.4 t -88.98 150.63 22.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.113 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.98 146.7 30.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.12 -32.08 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 t -83.13 -40.12 20.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m 55.83 25.02 7.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -113.88 113.69 25.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -64.57 141.68 58.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.549 HD22 ' CB ' ' A' ' 26' ' ' ASP . 30.1 mt -51.57 176.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 25' ' ' HIS . 7.3 m -110.89 150.86 28.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.09 -25.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' SER . 51.6 t60 -72.51 -56.33 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.549 ' CB ' HD22 ' A' ' 22' ' ' LEU . 46.7 m-20 -67.19 -54.02 24.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.592 ' HB2' HD11 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -45.51 -40.69 8.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.401 ' HG ' HD13 ' A' ' 42' ' ' ILE . 20.0 mt -81.24 -46.75 14.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.36 -35.97 41.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.537 ' CD2' ' HD2' ' A' ' 119' ' ' LYS . 18.0 t90 -62.99 -41.06 99.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.521 HG12 ' CG ' ' A' ' 37' ' ' LEU . 66.4 t -78.4 -39.53 24.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -65.22 -12.38 50.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -112.84 -38.49 4.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.7 m -53.94 -58.55 6.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.495 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 2.8 mt -116.1 16.93 15.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 62.59 53.2 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.522 HD12 ' CE2' ' A' ' 39' ' ' TYR . 3.2 mm? -83.07 165.1 19.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -127.93 38.82 3.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.522 ' CE2' HD12 ' A' ' 37' ' ' LEU . 25.0 m-85 -85.86 128.38 34.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 42.2 p -102.42 -3.39 27.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.137 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -145.76 130.59 18.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.592 HD11 ' HB2' ' A' ' 27' ' ' MET . 7.3 mm -48.48 -39.81 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.22 -41.42 62.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' CYS . 10.4 mm100 -46.36 -50.18 16.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.44 HD13 HD13 ' A' ' 115' ' ' ILE . 14.4 mt -40.0 -27.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 47' ' ' SER . 27.7 p -39.3 -40.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' CYS . 20.4 t -34.3 -49.61 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 103.71 -48.43 1.01 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -34.22 -45.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.344 . . . . 0.0 111.076 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.08 -64.27 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -46.6 -36.3 6.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.2 m -64.92 -58.83 5.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.476 ' HA ' HD11 ' A' ' 65' ' ' LEU . 36.6 tt0 -51.6 -25.36 6.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -69.26 -45.91 68.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 29.0 mmm -48.64 -37.81 19.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -68.07 -41.57 81.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 8.4 tpp -59.14 -53.49 57.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.716 HD21 ' CD2' ' A' ' 122' ' ' PHE . 9.9 mt -75.18 -66.96 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 2.7 m-85 -104.09 95.82 8.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.684 0.754 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.74 142.77 48.92 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.97 23.25 78.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.528 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.4 m -113.01 -27.97 7.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 0.0 110.88 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.9 p -121.73 152.27 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.423 ' O ' HG23 ' A' ' 68' ' ' VAL . 4.9 t-160 -109.59 97.04 6.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.476 HD11 ' HA ' ' A' ' 53' ' ' GLN . 3.3 mp -66.19 -35.86 81.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -49.43 -42.68 43.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.824 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -79.08 -14.0 59.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 64' ' ' HIS . 61.6 t -80.55 143.49 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.585 ' HD2' ' CD2' ' A' ' 80' ' ' HIS . 3.4 mtpm? -108.51 105.27 14.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -73.4 -41.96 62.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.507 HE22 ' NE ' ' A' ' 137' ' ' ARG . 22.5 mp0 -82.29 39.75 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.17 127.37 32.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 7.2 tmtm? -126.73 -36.06 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.6 mt -78.53 161.79 26.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.446 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 34.4 tt0 -62.56 -63.11 1.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.419 ' NE2' ' HG3' ' A' ' 77' ' ' GLU . 5.4 p80 -45.8 -39.01 7.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.419 ' HG3' ' NE2' ' A' ' 76' ' ' HIS . 48.1 mt-10 -57.66 -38.76 75.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.446 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.4 m-85 -59.64 -39.59 84.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 82' ' ' PHE . 3.5 mp -67.08 -55.34 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.585 ' CD2' ' HD2' ' A' ' 69' ' ' LYS . 80.9 t60 -40.12 -51.09 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.98 -36.23 67.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.456 ' CG ' HG22 ' A' ' 100' ' ' VAL . 15.5 m-85 -77.31 -33.88 55.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -52.01 -60.17 3.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.1 p -61.9 -32.84 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.7 tp -65.16 -41.45 94.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.402 ' NE2' ' HB ' ' A' ' 98' ' ' ILE . 8.1 mm-40 -52.47 -37.33 56.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.04 -40.69 94.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.36 -34.16 74.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -65.77 -54.14 31.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 91' ' ' LYS . 66.5 mmtt -66.54 -44.39 82.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 90' ' ' LYS . 25.4 mttp -33.53 -57.84 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.471 ' CG ' HG23 ' A' ' 94' ' ' VAL . 5.4 ptm -76.89 -46.71 23.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.92 37.93 0.34 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.561 HG12 ' H ' ' A' ' 96' ' ' LYS . 67.1 t -73.19 123.45 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.354 . . . . 0.0 111.144 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -90.89 36.98 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.561 ' H ' HG12 ' A' ' 94' ' ' VAL . 50.7 tptt -123.92 111.36 15.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 82.3 mt -68.37 145.76 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.404 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 69.7 mt -105.39 101.07 29.29 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.727 . . . . 0.0 111.184 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 98' ' ' ILE . 53.6 Cg_endo -69.73 79.73 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.732 2.288 . . . . 0.0 112.312 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.456 HG22 ' CG ' ' A' ' 82' ' ' PHE . 97.2 t -70.75 -53.73 20.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -49.59 -29.84 7.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -95.48 -35.48 11.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 103' ' ' LEU . 11.6 mt -63.99 -52.35 59.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.2 m -51.43 -28.47 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -56.89 -28.99 62.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 78.37 32.93 41.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.458 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 109' ' ' GLN . 60.6 mmtt -76.06 103.33 6.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.333 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.539 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 3.0 t80 -37.48 -32.75 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 107' ' ' LYS . 5.8 tp60 -75.51 -70.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -47.06 -21.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.452 ' O ' HG22 ' A' ' 115' ' ' ILE . 3.7 m-80 -81.94 -42.88 18.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.545 ' CE1' HG13 ' A' ' 42' ' ' ILE . 1.9 m-85 -53.2 -47.75 68.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -55.46 -48.55 74.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -60.06 -70.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.452 HG22 ' O ' ' A' ' 111' ' ' ASN . 9.6 tp -51.13 -35.81 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.495 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 4.0 tp-100 -57.55 -57.29 13.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.486 ' HA ' ' CD ' ' A' ' 120' ' ' LYS . 18.3 t90 -71.8 -21.91 61.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -64.98 -31.09 72.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.537 ' HD2' ' CD2' ' A' ' 30' ' ' TRP . 17.5 tptm -71.45 -55.86 7.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.486 ' CD ' ' HA ' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -59.7 -39.84 85.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.917 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.744 ' HA ' HG21 ' A' ' 12' ' ' VAL . 19.0 t80 -68.9 -32.99 73.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.716 ' CD2' HD21 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -70.02 -36.26 74.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -76.02 -37.74 58.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -55.19 -33.68 63.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.092 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.441 ' OD1' HG23 ' A' ' 10' ' ' VAL . 24.4 m-80 -98.02 -47.95 5.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -41.29 144.46 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -130.48 -44.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 143.47 72.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.81 145.7 49.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -80.3 132.24 35.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -137.74 140.07 40.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.504 ' CB ' HD12 ' A' ' 135' ' ' LEU . 3.8 m120 -106.59 97.58 17.42 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.57 0.7 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 132' ' ' ASN . 53.8 Cg_endo -69.7 -24.02 30.4 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.691 2.26 . . . . 0.0 112.358 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 12.1 mt -77.12 -53.54 7.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.504 HD12 ' CB ' ' A' ' 132' ' ' ASN . 41.9 mt -52.99 -41.8 64.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -39.1 -38.64 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.507 ' NE ' HE22 ' A' ' 71' ' ' GLN . 21.6 mmm180 -96.23 -46.4 6.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 137' ' ' ARG . 19.5 mm-40 -34.2 146.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -150.94 -38.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.454 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -149.28 143.05 25.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.83 -43.43 54.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.9 t -37.7 -54.46 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -42.38 131.84 2.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.645 0.735 . . . . 0.0 111.087 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 144.68 54.89 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.341 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 163.32 38.74 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.295 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 174.03 10.05 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -113.15 142.15 26.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.627 0.727 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -0.46 6.9 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.643 2.229 . . . . 0.0 112.393 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 114.95 -74.39 0.25 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -65.89 122.48 17.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 110.945 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -96.47 145.13 25.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 4.4 mp -76.83 112.04 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -69.3 139.39 54.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 94.0 p -137.52 134.21 35.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -82.35 -157.35 21.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -33.95 15.65 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.6 m -137.54 162.45 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 17.3 m -105.36 120.96 42.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.539 -0.225 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 m -98.45 -65.44 0.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.37 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 p -76.71 139.0 40.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.56 46.09 3.44 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.515 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -86.68 67.74 9.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 110.84 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.7 m -62.61 100.63 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.62 128.68 1.56 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.536 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.446 ' O ' ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -111.89 157.44 20.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.911 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.668 ' CB ' HG22 ' A' ' 94' ' ' VAL . . . -111.15 109.18 19.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.039 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.6 t -90.01 106.75 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -54.1 139.14 35.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.561 HG11 ' HB2' ' A' ' 120' ' ' LYS . 38.6 t -122.79 112.04 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -118.46 79.06 1.33 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.1 p -146.66 168.47 21.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.1 t -138.41 165.57 26.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.2 m -67.28 109.51 3.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.6 m -123.81 -174.69 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.1 p 51.2 36.02 14.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m 56.1 25.04 8.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -108.95 118.25 36.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -158.67 136.2 10.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.1 mt -88.07 160.64 17.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -130.25 178.58 6.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.452 ' HA ' HD11 ' A' ' 42' ' ' ILE . 13.3 ptt180 -43.0 -43.76 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -63.89 -70.83 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.441 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 74.2 m-20 -45.49 -66.43 0.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.6 mtp -41.57 -54.99 3.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.497 ' O ' ' ND2' ' A' ' 32' ' ' ASN . 42.7 mt -56.46 -29.77 62.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 26' ' ' ASP . . . -71.76 -41.2 68.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.061 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.579 ' CE3' ' HG2' ' A' ' 119' ' ' LYS . 16.7 t90 -62.21 -51.19 68.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.475 HG23 ' CE3' ' A' ' 30' ' ' TRP . 99.4 t -68.56 -32.57 55.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 28' ' ' LEU . 77.4 m-20 -70.47 -15.98 62.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -109.63 -23.51 11.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -67.03 -66.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.526 HD11 ' CD2' ' A' ' 54' ' ' PHE . 0.9 OUTLIER -107.84 19.09 20.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 62.65 54.93 2.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.483 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 1.3 mm? -89.05 161.74 16.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -131.14 43.75 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -82.02 121.98 27.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.628 HG23 ' HG3' ' A' ' 41' ' ' LYS . 9.5 t -88.15 -12.4 44.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.189 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.628 ' HG3' HG23 ' A' ' 40' ' ' THR . 6.6 mtpm? -148.04 140.82 24.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.466 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 4.6 mm -51.0 -47.38 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -44.18 -37.17 3.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' CYS . 10.8 mm100 -50.19 -49.06 53.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.627 HD13 HD13 ' A' ' 115' ' ' ILE . 21.9 mt -41.94 -23.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' GLN . 23.0 p -47.59 -38.41 14.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' CYS . 68.5 p -34.18 -47.9 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.7 -37.29 3.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.458 ' HA ' ' CG1' ' A' ' 68' ' ' VAL . . . -44.61 -50.8 9.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.762 0.315 . . . . 0.0 111.075 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.7 -66.1 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.07 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -42.63 -33.46 0.72 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.442 ' HA ' HD13 ' A' ' 85' ' ' LEU . 36.9 m -71.46 -50.64 29.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -54.85 -25.31 27.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.526 ' CD2' HD11 ' A' ' 35' ' ' LEU . 11.8 m-85 -70.73 -48.89 52.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 69.3 mmm -50.81 -35.79 34.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -66.51 -48.1 70.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.4 ttm -57.55 -59.36 5.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.9 mt -64.92 -62.31 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.576 ' CZ ' ' HE1' ' A' ' 92' ' ' MET . 2.1 m-85 -107.96 96.43 17.65 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.679 0.752 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 54.3 Cg_endo -69.75 144.11 53.02 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.244 . . . . 0.0 112.339 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.86 28.63 72.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 23.0 m -116.88 -26.56 6.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.564 HG13 HD13 ' A' ' 65' ' ' LEU . 8.5 p -123.22 148.97 26.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.507 ' HB3' HG21 ' A' ' 84' ' ' VAL . 4.3 t-80 -104.32 93.81 5.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.564 HD13 HG13 ' A' ' 63' ' ' VAL . 3.9 mp -67.81 -27.94 67.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -39.61 73.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.499 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 10.6 mtpt -83.32 -13.33 55.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.458 ' CG1' ' HA ' ' A' ' 49' ' ' ALA . 66.8 t -79.39 134.33 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 1.5 mtpt -88.24 107.44 18.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -80.41 -24.95 39.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -109.94 36.27 3.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.44 130.03 34.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 pttm -127.16 -36.61 2.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.3 mt -87.43 169.74 11.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.581 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 34.7 tt0 -68.53 -53.66 21.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -54.25 -28.9 44.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -70.43 -23.98 62.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.581 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 20.8 m-85 -72.47 -31.0 65.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.586 HG13 HG11 ' A' ' 104' ' ' VAL . 5.2 mp -83.06 -37.47 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.499 ' CD2' ' O ' ' A' ' 67' ' ' LYS . 77.1 t60 -46.72 -62.25 1.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -53.35 -33.58 54.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.796 ' CD2' HG13 ' A' ' 100' ' ' VAL . 4.5 m-85 -72.85 -34.17 66.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -56.37 -69.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.507 HG21 ' HB3' ' A' ' 64' ' ' HIS . 7.1 p -52.35 -36.13 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 52' ' ' CYS . 27.4 tp -60.94 -46.2 91.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.424 ' NE2' ' HB ' ' A' ' 98' ' ' ILE . 12.3 mm-40 -51.05 -36.52 40.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.12 -44.78 96.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.78 -35.05 68.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.066 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.421 ' O ' HG23 ' A' ' 94' ' ' VAL . 2.7 m-85 -60.22 -56.23 24.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 91' ' ' LYS . 0.6 OUTLIER -66.81 -40.02 87.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 90' ' ' LYS . 4.6 mtpm? -35.2 -50.55 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.576 ' HE1' ' CZ ' ' A' ' 59' ' ' PHE . 4.7 ptm -88.15 -46.09 9.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 134.81 47.07 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.668 HG22 ' CB ' ' A' ' 9' ' ' ALA . 38.4 t -91.35 114.44 28.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 111.159 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.26 29.53 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.573 ' H ' HG12 ' A' ' 94' ' ' VAL . 6.5 tmtt? -106.13 105.12 15.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.8 mm -66.37 131.32 32.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.424 ' HB ' ' NE2' ' A' ' 86' ' ' GLN . 80.2 mt -93.11 107.09 22.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.738 . . . . 0.0 111.15 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 98' ' ' ILE . 53.5 Cg_endo -69.74 82.54 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.796 HG13 ' CD2' ' A' ' 82' ' ' PHE . 25.7 t -74.62 -62.87 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -40.64 -25.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 100' ' ' VAL . 19.8 mttt -97.92 -50.52 4.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.0 mt -52.61 -48.73 66.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.586 HG11 HG13 ' A' ' 79' ' ' ILE . 25.1 m -52.97 -37.36 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -53.37 -23.58 9.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.17 36.46 60.17 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 109' ' ' GLN . 6.4 mmmm -78.15 101.01 6.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.515 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 2.5 t80 -35.27 -31.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 107' ' ' LYS . 2.9 tm0? -76.64 -72.55 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.33 -22.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 109' ' ' GLN . 2.7 m-80 -81.58 -47.91 12.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.515 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 2.8 m-85 -48.73 -49.17 39.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -56.72 -44.71 81.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -60.77 -70.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.627 HD13 HD13 ' A' ' 45' ' ' LEU . 8.8 tp -51.9 -38.67 23.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.449 ' CG ' ' O ' ' A' ' 112' ' ' PHE . 4.5 mm100 -46.72 -50.35 18.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.452 ' CH2' ' HG3' ' A' ' 96' ' ' LYS . 11.2 t90 -81.62 -39.64 24.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -47.27 -41.94 19.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.579 ' HG2' ' CE3' ' A' ' 30' ' ' TRP . 1.8 tmtt? -55.41 -40.52 71.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.561 ' HB2' HG11 ' A' ' 12' ' ' VAL . 23.9 mttt -71.87 -44.89 63.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -51.55 -28.71 14.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.586 ' CE1' ' CD2' ' A' ' 126' ' ' TYR . 5.1 t80 -73.24 -43.44 61.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -75.13 -25.99 58.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.45 -32.43 73.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -108.27 -48.13 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.586 ' CD2' ' CE1' ' A' ' 122' ' ' PHE . 19.2 t80 -54.32 101.62 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -86.21 -44.79 11.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 162.31 50.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.28 147.63 31.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -88.05 144.95 26.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -143.32 155.28 44.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.409 ' HA ' ' HD2' ' A' ' 133' ' ' PRO . 4.0 m-80 -115.93 95.19 43.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.71 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 132' ' ' ASN . 53.3 Cg_endo -69.77 -16.79 37.67 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.702 2.268 . . . . 0.0 112.289 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 20.9 mt -84.71 -51.15 7.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 72.0 mt -53.87 -44.48 70.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -42.35 -41.05 2.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.082 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.94 -40.87 12.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -38.6 110.67 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -166.87 -56.56 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 142' ' ' VAL . 0.6 OUTLIER -97.06 63.77 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.765 0.317 . . . . 0.0 110.889 -179.865 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -41.0 -24.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 140' ' ' GLN . 97.6 t -47.38 -60.31 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.92 139.72 90.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.579 0.704 . . . . 0.0 111.126 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 168.43 21.63 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.685 2.256 . . . . 0.0 112.321 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 146.79 61.37 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.325 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 158.82 55.64 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.26 . . . . 0.0 112.309 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -174.2 136.55 0.63 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.586 0.708 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 81.74 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.662 2.241 . . . . 0.0 112.391 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -52.01 -81.57 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.34 155.18 7.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.751 0.31 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -152.54 133.61 14.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 57.9 mt -142.84 117.88 4.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -159.31 166.19 31.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 40.5 m 54.95 42.46 31.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -153.92 140.34 7.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.455 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 167.92 23.03 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.698 2.265 . . . . 0.0 112.319 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 41.3 p -139.21 171.24 14.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 90.8 p -163.93 166.86 21.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.518 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.0 m -105.14 134.01 48.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.852 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -132.57 130.74 40.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.62 102.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 t -47.06 155.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.7 p -127.78 179.6 5.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.35 138.9 6.67 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.482 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.0 mmt -116.91 163.14 16.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.339 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.71 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . -81.02 165.5 21.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 11' ' ' ASN . 76.9 t -130.18 85.88 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.551 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 3.0 m120 -34.35 108.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.8 t -74.43 98.38 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 11' ' ' ASN . 22.0 m-85 -131.01 50.96 2.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.6 m -154.59 174.11 15.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.3 p -103.16 65.68 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.123 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.2 m -94.55 48.36 1.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.47 167.49 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -126.06 -11.33 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.3 t -128.86 142.6 50.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -42.14 -63.13 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -167.42 131.23 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.31 164.23 7.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 24' ' ' ARG . 6.3 m -118.47 160.63 21.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 23' ' ' SER . 20.7 ptt180 -36.73 -49.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 26' ' ' ASP . 22.3 t60 -59.34 -69.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 5.9 m-20 -37.13 -63.54 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.487 ' HE1' HG13 ' A' ' 115' ' ' ILE . 5.0 mtp -48.44 -66.35 0.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.614 HD11 ' HA ' ' A' ' 41' ' ' LYS . 23.8 mt -43.45 -31.19 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 26' ' ' ASP . . . -75.88 -36.06 59.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.108 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.54 ' CE3' ' HD3' ' A' ' 119' ' ' LYS . 3.1 t90 -67.47 -51.48 50.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.4 t -67.94 -34.61 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.444 ' CG ' ' O ' ' A' ' 28' ' ' LEU . 79.6 m-20 -64.39 -22.53 66.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -105.35 -17.93 14.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.1 m -72.77 -65.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.576 HD11 ' CD2' ' A' ' 54' ' ' PHE . 3.2 mt -105.61 16.51 25.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 63.41 55.03 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.51 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 1.1 mm? -90.96 161.27 15.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -129.39 43.22 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -84.7 129.94 34.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.552 HG23 ' HG3' ' A' ' 41' ' ' LYS . 14.5 t -95.91 -5.93 40.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.162 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.614 ' HA ' HD11 ' A' ' 28' ' ' LEU . 37.2 mttm -155.25 140.18 17.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.505 HG13 ' CE1' ' A' ' 112' ' ' PHE . 4.9 mm -49.34 -47.66 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -42.97 -38.22 2.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' CYS . 12.8 mm100 -51.17 -47.94 62.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 46' ' ' CYS . 14.4 mt -39.67 -27.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' GLN . 29.0 p -37.56 -38.73 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.448 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 5.0 t -38.57 -46.51 1.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 94.82 -42.61 2.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.21 -42.03 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.771 0.32 . . . . 0.0 111.061 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.71 -53.76 54.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -51.46 -35.81 41.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.44 ' HA ' HD13 ' A' ' 85' ' ' LEU . 46.3 m -64.57 -55.57 19.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.471 ' HG2' HD22 ' A' ' 35' ' ' LEU . 15.6 tt0 -52.41 -28.97 22.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.915 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.576 ' CD2' HD11 ' A' ' 35' ' ' LEU . 9.3 m-85 -67.46 -33.88 76.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 84.0 mmm -68.13 -29.81 68.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -79.47 -38.66 34.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.1 ptm -68.22 -38.82 82.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.471 HD21 ' CD2' ' A' ' 122' ' ' PHE . 21.8 mt -84.13 -60.59 2.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.427 ' CG ' ' HE1' ' A' ' 92' ' ' MET . 0.2 OUTLIER -113.32 98.75 47.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.662 0.744 . . . . 0.0 110.911 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.75 143.77 51.95 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.369 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.63 24.49 76.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.513 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.7 m -115.5 -34.84 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.3 p -119.03 151.06 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -111.03 98.52 7.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.42 HD21 ' HG3' ' A' ' 53' ' ' GLN . 4.1 mp -66.54 -27.85 68.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -42.87 65.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.14 -13.31 59.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.6 t -81.65 143.62 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.169 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -107.8 107.31 18.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -76.15 -37.94 57.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -86.35 33.48 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.59 131.11 46.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.79 -32.94 1.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 76.4 mt -80.5 168.42 18.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.407 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 38.3 tt0 -70.41 -57.38 4.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -53.41 -32.61 50.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -61.84 -36.37 81.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.448 ' CD1' ' HA ' ' A' ' 47' ' ' SER . 24.0 m-85 -63.99 -37.64 88.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.539 ' CD1' HG11 ' A' ' 104' ' ' VAL . 3.5 mp -69.47 -49.37 60.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -46.88 -54.41 10.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.96 -32.92 48.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.589 ' CG ' HG22 ' A' ' 100' ' ' VAL . 12.4 m-85 -74.96 -41.59 59.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -44.91 -63.69 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.2 p -56.68 -39.06 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 52' ' ' CYS . 22.1 tp -58.59 -43.09 89.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -55.05 -38.14 67.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.64 -43.95 85.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.81 -35.44 72.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -62.31 -56.85 14.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 91' ' ' LYS . 43.6 mmtm -64.25 -42.24 96.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 90' ' ' LYS . 9.2 mtpp -37.58 -45.67 0.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.71 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 10.7 ptp -89.01 -48.05 7.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.417 ' N ' ' HG3' ' A' ' 92' ' ' MET . . . 134.67 30.78 0.37 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.5 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.695 HG12 ' H ' ' A' ' 96' ' ' LYS . 62.1 t -71.94 117.07 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.119 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -87.79 27.28 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.695 ' H ' HG12 ' A' ' 94' ' ' VAL . 4.0 tmtm? -108.74 107.42 17.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.473 ' H ' HD12 ' A' ' 97' ' ' ILE . 5.0 mp -69.0 140.13 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.419 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 70.5 mt -99.54 107.29 44.71 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.618 0.723 . . . . 0.0 111.111 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 98' ' ' ILE . 53.4 Cg_endo -69.76 78.91 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.712 2.275 . . . . 0.0 112.31 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.589 HG22 ' CG ' ' A' ' 82' ' ' PHE . 32.4 t -66.61 -71.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 100' ' ' VAL . 2.3 mm-40 -31.11 -37.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 100' ' ' VAL . 16.7 mmtt -83.66 -60.35 2.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.3 mt -42.74 -53.96 4.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.539 HG11 ' CD1' ' A' ' 79' ' ' ILE . 35.8 m -43.53 -45.98 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.513 ' N ' HG23 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -49.87 -38.17 34.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.54 27.9 18.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 109' ' ' GLN . 8.3 mtpm? -64.29 102.08 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.834 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.497 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 3.3 t80 -37.76 -28.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 107' ' ' LYS . 6.6 tp60 -80.83 -70.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -46.36 -20.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 109' ' ' GLN . 3.4 m-80 -83.95 -40.68 18.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.505 ' CE1' HG13 ' A' ' 42' ' ' ILE . 3.4 m-85 -55.58 -47.85 75.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -55.22 -42.5 73.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -66.1 -69.02 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.487 HG13 ' HE1' ' A' ' 27' ' ' MET . 9.0 tp -53.5 -30.09 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.487 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 6.5 tp60 -60.15 -50.65 72.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.491 ' HA ' ' CD ' ' A' ' 120' ' ' LYS . 3.6 t90 -84.4 -14.91 48.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -68.14 -31.42 70.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.54 ' HD3' ' CE3' ' A' ' 30' ' ' TRP . 16.8 tptp -70.56 -58.05 4.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.491 ' CD ' ' HA ' ' A' ' 117' ' ' TRP . 4.3 ptmt -54.35 -41.86 69.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.462 ' HE1' ' HB1' ' A' ' 9' ' ' ALA . 38.9 t80 -67.08 -33.57 75.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.471 ' CD2' HD21 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -64.21 -42.83 96.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -75.47 -30.77 60.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.811 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.19 -23.19 62.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -114.52 -45.65 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.509 ' CE2' ' HA2' ' A' ' 128' ' ' GLY . 61.6 t80 -44.11 107.45 0.09 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -78.23 -45.11 23.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.509 ' HA2' ' CE2' ' A' ' 126' ' ' TYR . . . 139.57 49.38 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.33 132.86 54.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.762 0.315 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -66.69 126.85 30.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -123.48 128.41 49.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.567 ' HB2' HD12 ' A' ' 135' ' ' LEU . 2.2 m-80 -94.44 105.39 17.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.56 0.695 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -28.83 24.53 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.691 2.261 . . . . 0.0 112.341 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.46 -54.37 7.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.567 HD12 ' HB2' ' A' ' 132' ' ' ASN . 85.2 mt -42.0 -39.01 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -47.05 -41.54 16.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 138' ' ' GLN . 10.7 mtp-105 -90.39 -42.82 10.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 137' ' ' ARG . 40.0 mm-40 -34.2 130.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -167.32 -54.38 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.451 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -101.11 169.76 8.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -95.22 -34.28 12.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.3 t -40.58 -66.3 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -43.33 135.73 3.19 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.546 0.688 . . . . 0.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 144.5 54.15 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.705 2.27 . . . . 0.0 112.328 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 164.5 34.35 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 178.94 4.04 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.695 2.263 . . . . 0.0 112.372 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -152.19 132.19 7.18 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.721 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 -161.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.689 2.259 . . . . 0.0 112.374 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 110.87 93.91 2.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -144.69 164.45 30.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.776 0.322 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.44 164.36 18.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.958 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 3.1 tp -98.16 129.77 47.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -149.55 137.99 20.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.5 t -170.6 105.14 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -97.13 173.39 28.95 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 140.28 42.21 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.271 . . . . 0.0 112.356 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.2 m -164.69 131.3 2.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.3 t -141.75 120.12 12.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -113.7 117.73 32.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.884 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 m -134.04 145.48 49.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.88 -98.15 0.55 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -60.46 138.92 57.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.858 0.361 . . . . 0.0 110.839 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 t -72.56 157.27 37.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.35 104.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.71 175.03 8.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.675 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . -102.93 160.04 14.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.0 t -123.69 90.69 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -38.12 119.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.808 HG11 ' HG3' ' A' ' 120' ' ' LYS . 6.3 t -95.2 109.22 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -122.37 75.69 1.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.3 p -165.08 154.6 12.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.7 t -96.84 148.55 22.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.112 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.3 t -51.16 143.68 10.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 18' ' ' THR . 8.1 p -70.13 139.83 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 17' ' ' VAL . 24.4 p 35.4 38.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.9 t -174.52 174.46 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -106.14 -46.66 4.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -173.75 150.35 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.8 mt -54.13 -175.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 24' ' ' ARG . 2.4 m -124.09 162.14 24.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 23' ' ' SER . 18.2 mtm-85 -33.18 -68.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -39.52 -70.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 29' ' ' ALA . 5.8 m-20 -48.37 -63.52 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 26' ' ' ASP . 2.9 mmt -35.43 -43.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.409 HD11 ' CA ' ' A' ' 41' ' ' LYS . 31.3 mt -79.33 -36.27 39.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -61.7 -40.0 93.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.524 ' CD2' ' HD2' ' A' ' 119' ' ' LYS . 16.7 t90 -56.13 -55.15 36.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.47 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 46.4 t -70.86 -38.0 70.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -63.09 -11.66 21.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -115.26 -34.09 5.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.0 m -54.81 -64.96 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.501 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 3.0 mt -107.13 17.02 23.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 64.46 50.91 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.501 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 3.0 mm? -84.64 163.7 19.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -128.79 39.44 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.471 ' CE2' HD12 ' A' ' 37' ' ' LEU . 24.2 m-85 -82.43 118.96 23.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 66.7 p -89.17 -11.3 44.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.128 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' CA ' HD11 ' A' ' 28' ' ' LEU . 32.1 mttm -140.49 133.24 28.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.567 HG13 ' CE1' ' A' ' 112' ' ' PHE . 20.7 mm -48.19 -39.41 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -51.58 -37.38 49.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 46' ' ' CYS . 20.3 mm-40 -46.31 -51.06 15.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.421 ' CD1' HD13 ' A' ' 115' ' ' ILE . 23.8 mt -39.01 -26.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 44' ' ' GLN . 28.5 p -41.8 -40.15 1.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' CYS . 26.2 m -33.98 -44.07 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.787 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 99.86 -51.95 1.04 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -34.07 -60.09 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.826 0.346 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.37 -59.21 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -49.55 -43.2 45.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.4 ' HA ' HD13 ' A' ' 85' ' ' LEU . 9.7 m -64.22 -52.84 56.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.501 ' NE2' HD22 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -53.36 -27.23 22.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.48 ' CG ' HD11 ' A' ' 35' ' ' LEU . 9.2 m-85 -69.59 -46.37 66.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 43.3 mmm -46.17 -38.81 8.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.11 -39.5 75.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.836 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.2 tpp -55.2 -50.13 70.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.578 HD11 ' HA ' ' A' ' 122' ' ' PHE . 41.1 mt -82.51 -62.91 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.411 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 1.5 m-85 -102.68 96.83 8.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.731 . . . . 0.0 110.874 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.9 Cg_endo -69.75 142.44 47.97 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.669 2.246 . . . . 0.0 112.389 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.77 26.5 73.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.456 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.0 m -111.63 -37.41 5.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.839 0.352 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.543 HG13 HD13 ' A' ' 65' ' ' LEU . 9.4 p -112.91 146.6 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -99.96 93.32 5.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.543 HD13 HG13 ' A' ' 63' ' ' VAL . 2.0 mp -62.31 -38.44 89.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.83 -45.58 7.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -75.68 -25.18 56.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 92.9 t -66.65 133.31 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.555 ' HE2' ' CD2' ' A' ' 80' ' ' HIS . 35.1 mttm -100.75 105.59 16.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.557 ' CD2' ' HG3' ' A' ' 137' ' ' ARG . 3.6 m-85 -73.88 -46.37 45.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -81.98 40.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.44 125.46 26.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.098 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.8 tttm -123.79 -37.78 2.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.8 mt -77.97 163.76 25.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -63.87 -63.04 1.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -47.92 -37.07 13.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -55.83 -40.96 73.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -60.51 -40.23 90.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 82' ' ' PHE . 3.5 mp -67.06 -53.28 35.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.555 ' CD2' ' HE2' ' A' ' 69' ' ' LYS . 39.9 t60 -39.72 -49.68 2.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.56 -33.15 73.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.569 ' CD2' HG13 ' A' ' 100' ' ' VAL . 12.8 m-85 -74.58 -36.9 63.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -53.0 -59.74 4.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.1 p -58.16 -36.15 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 52' ' ' CYS . 33.5 tp -60.43 -48.67 80.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.45 ' NE2' ' HB ' ' A' ' 98' ' ' ILE . 11.3 mm-40 -45.95 -40.14 9.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.05 77.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.36 87.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.446 ' CG ' HD11 ' A' ' 98' ' ' ILE . 3.4 m-85 -65.24 -41.55 94.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 91' ' ' LYS . 26.1 mmtp -75.62 -39.12 58.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 90' ' ' LYS . 14.4 mtpt -34.24 -37.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.675 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 15.3 ptp -105.32 -46.74 4.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.92 24.25 0.81 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.528 HG12 ' H ' ' A' ' 96' ' ' LYS . 57.6 t -52.89 113.67 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 0.0 111.168 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -83.44 35.04 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.528 ' H ' HG12 ' A' ' 94' ' ' VAL . 2.5 tmtm? -113.63 86.23 2.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.408 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 28.2 mm -47.15 135.7 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.099 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.45 ' HB ' ' NE2' ' A' ' 86' ' ' GLN . 67.4 mt -101.07 98.53 8.85 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.632 0.73 . . . . 0.0 111.11 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 97' ' ' ILE . 53.8 Cg_endo -69.74 81.68 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.36 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.779 ' O ' HG22 ' A' ' 104' ' ' VAL . 65.7 t -72.07 -56.96 8.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -41.83 -24.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 100' ' ' VAL . 18.1 mttt -101.27 -53.98 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 28.2 mt -46.54 -44.8 18.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 100' ' ' VAL . 18.5 m -60.28 -36.3 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -42.91 -33.21 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.26 31.5 19.5 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -77.57 -177.57 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.558 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 2.0 t80 -113.64 -33.85 5.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -69.23 -70.82 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.29 -23.3 1.34 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.776 ' O ' HG22 ' A' ' 115' ' ' ILE . 2.4 m-80 -79.99 -33.86 39.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.567 ' CE1' HG13 ' A' ' 42' ' ' ILE . 2.2 m-85 -63.35 -48.15 79.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -56.77 -56.34 22.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -49.42 -70.99 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.776 HG22 ' O ' ' A' ' 111' ' ' ASN . 8.2 tp -52.51 -41.73 37.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.152 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 31.3 tp60 -49.56 -54.8 16.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.454 ' CZ3' ' HG3' ' A' ' 96' ' ' LYS . 16.6 t90 -68.48 -47.44 67.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -47.37 -20.3 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.524 ' HD2' ' CD2' ' A' ' 30' ' ' TRP . 22.2 tptp -62.79 -61.78 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.808 ' HG3' HG11 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -69.84 -32.53 70.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.861 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -60.68 -29.37 69.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.578 ' HA ' HD11 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -74.57 -49.02 23.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.404 ' N ' ' CD1' ' A' ' 122' ' ' PHE . 24.1 m-20 -66.64 -37.13 84.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.35 -40.81 50.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -94.23 -45.52 7.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.455 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 33.4 t80 -51.99 145.67 9.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -134.49 -49.68 0.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 167.34 51.92 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.521 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.74 110.11 19.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.759 0.314 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -54.1 151.85 6.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.863 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.427 ' CE1' ' OE1' ' A' ' 53' ' ' GLN . 58.2 t80 -155.18 127.76 7.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.439 ' CG ' ' HG ' ' A' ' 135' ' ' LEU . 1.9 t-20 -96.35 105.2 20.82 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.651 0.738 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 132' ' ' ASN . 54.1 Cg_endo -69.79 -29.77 23.21 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.673 2.249 . . . . 0.0 112.381 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 48.2 mt -66.6 -55.24 16.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.439 ' HG ' ' CG ' ' A' ' 132' ' ' ASN . 29.9 mt -52.62 -36.08 55.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -44.04 -45.25 7.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.06 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.557 ' HG3' ' CD2' ' A' ' 70' ' ' PHE . 27.0 mmm180 -118.93 47.29 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -103.38 157.49 16.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 162.85 -72.42 0.2 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -75.9 157.51 33.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.769 0.319 . . . . 0.0 110.931 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -90.21 -45.47 9.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 143' ' ' ALA . 92.7 t -40.13 -41.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 142' ' ' VAL . . . -34.97 137.53 0.38 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.586 0.708 . . . . 0.0 111.074 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 124.6 11.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.327 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 169.58 18.56 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.377 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 150.76 68.67 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.682 2.255 . . . . 0.0 112.329 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -110.2 118.68 48.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.719 . . . . 0.0 110.948 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' A' ' 150' ' ' ASP . 54.2 Cg_endo -69.71 6.71 1.19 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.691 2.261 . . . . 0.0 112.368 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -57.5 80.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 148' ' ' PRO . 24.0 t70 -132.58 149.94 52.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.757 0.313 . . . . 0.0 110.853 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.418 ' HG2' ' C ' ' A' ' 150' ' ' ASP . 18.9 pt20 38.2 32.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 153' ' ' PHE . 2.9 tp -93.14 142.12 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.454 ' N ' HG13 ' A' ' 152' ' ' ILE . 56.9 t80 -34.82 -48.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 13.3 t -55.35 134.98 50.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.795 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 126.64 -153.46 18.8 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 131.52 21.36 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.649 2.233 . . . . 0.0 112.331 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 71.1 m -82.32 85.81 6.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 60.6 p -98.29 173.15 7.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.7 p -105.6 168.24 9.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.354 . . . . 0.0 110.881 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -120.19 135.63 54.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.68 41.19 0.23 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 m -162.52 135.16 5.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.888 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 m -136.93 145.32 44.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.93 75.13 1.28 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.508 ' O ' ' CE1' ' A' ' 59' ' ' PHE . 4.0 ptp -145.26 161.73 38.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.721 ' HB2' HG22 ' A' ' 94' ' ' VAL . . . -105.6 151.94 23.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.076 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 12' ' ' VAL . 96.1 t -118.43 96.09 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -42.73 105.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.651 HG21 ' HA ' ' A' ' 121' ' ' PHE . 61.9 t -91.2 117.95 35.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -129.32 52.12 2.0 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 62.2 m -162.27 -179.81 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.4 p -140.85 137.67 33.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.3 m -130.4 83.01 2.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 p -170.96 140.73 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.095 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 19' ' ' SER . 68.4 p -37.58 -73.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.414 ' N ' ' OG1' ' A' ' 18' ' ' THR . 1.6 t -70.15 165.38 22.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.836 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -44.74 -33.76 2.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -168.03 159.84 11.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.5 mt -58.91 160.6 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.9 m -104.68 177.37 4.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 -50.08 -48.25 53.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -53.1 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.18 -51.88 23.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.1 mmt -46.64 -50.52 17.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' A' ' 41' ' ' LYS . 24.5 mt -72.16 -31.4 65.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.13 88.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 34.8 t90 -55.08 -34.61 63.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.477 HG12 ' CG ' ' A' ' 37' ' ' LEU . 59.5 t -85.78 -38.32 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 -70.79 -6.21 36.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.23 -23.96 9.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.1 m -74.61 -62.35 1.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.504 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -113.35 36.65 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.579 ' NE2' HD23 ' A' ' 134' ' ' LEU . 23.7 p-80 42.13 55.02 4.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.506 ' HA ' HD13 ' A' ' 37' ' ' LEU . 1.2 mm? -79.2 164.1 24.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -134.05 35.42 3.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.499 ' CE2' HD23 ' A' ' 45' ' ' LEU . 18.1 m-85 -75.42 131.57 40.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.0 m -91.37 -11.82 36.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.166 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.4 ' HA ' HD11 ' A' ' 28' ' ' LEU . 53.0 mttp -153.71 147.79 25.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.552 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 3.2 mm -52.75 -45.04 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -46.74 -38.5 10.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -50.03 -48.34 52.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.551 HD13 HD13 ' A' ' 115' ' ' ILE . 40.6 mt -41.32 -29.52 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 47' ' ' SER . 31.5 p -38.38 -35.83 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' CYS . 75.6 p -35.18 -42.66 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.22 -43.18 2.4 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -39.6 -51.56 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.309 . . . . 0.0 111.06 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.81 -63.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.087 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -42.55 -41.12 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.2 m -64.17 -53.25 52.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.479 ' HB3' HD13 ' A' ' 35' ' ' LEU . 20.7 tt0 -56.09 -20.27 16.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.942 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.448 ' CD2' HD11 ' A' ' 35' ' ' LEU . 9.8 m-85 -77.51 -44.69 27.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 38.8 mmm -52.41 -42.86 64.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -58.47 -49.46 77.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.525 ' HA ' ' CD2' ' A' ' 131' ' ' TYR . 3.3 ttm -58.18 -57.25 13.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.2 mt -64.04 -63.93 1.02 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.508 ' CE1' ' O ' ' A' ' 8' ' ' MET . 5.1 m-85 -112.51 96.08 34.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.603 0.716 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.9 Cg_endo -69.68 144.3 54.04 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.733 2.289 . . . . 0.0 112.369 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.25 17.38 78.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.543 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.7 t -110.51 -33.05 6.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.3 p -120.94 154.46 24.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.467 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 5.0 t-160 -111.46 105.7 14.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.468 HD11 ' HA ' ' A' ' 53' ' ' GLN . 1.9 mp -72.53 -23.96 61.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.467 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 7.8 tpt180 -60.38 -35.99 77.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -84.82 -13.7 50.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.6 t -75.54 137.43 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -105.05 99.87 9.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -74.59 -32.6 62.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -90.62 35.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.92 137.19 55.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -132.39 -33.51 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.4 mt -87.83 166.13 14.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.51 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 38.5 tt0 -63.65 -62.28 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.438 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 6.6 p80 -43.58 -42.41 5.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.438 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 16.3 mt-10 -54.17 -39.96 67.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.51 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 17.3 m-85 -58.81 -40.27 83.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.529 HG13 HG11 ' A' ' 104' ' ' VAL . 3.9 mp -69.87 -51.47 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 46.0 t60 -38.42 -54.2 1.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.4 -41.31 84.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.556 ' CD2' HG13 ' A' ' 100' ' ' VAL . 11.5 m-85 -60.44 -46.52 89.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.408 ' HD2' ' HA ' ' A' ' 80' ' ' HIS . 2.5 mtpt -44.94 -67.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.6 p -49.14 -37.64 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.4 tp -65.8 -37.07 85.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -55.63 -43.15 75.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.73 -40.99 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.21 -30.25 70.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -70.92 -56.76 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 91' ' ' LYS . 24.4 mmtp -64.12 -41.99 97.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 90' ' ' LYS . 42.7 mttm -37.06 -39.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.531 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 7.3 ptp -98.75 -42.16 7.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 124.4 22.68 2.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.721 HG22 ' HB2' ' A' ' 9' ' ' ALA . 81.2 t -51.71 117.43 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 111.075 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -83.1 37.67 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.581 ' H ' HG12 ' A' ' 94' ' ' VAL . 29.3 tptt -131.89 104.27 6.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 26.4 mm -66.89 143.88 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.409 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 72.6 mt -96.6 104.74 19.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 98' ' ' ILE . 53.9 Cg_endo -69.76 80.1 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.384 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.556 HG13 ' CD2' ' A' ' 82' ' ' PHE . 84.0 t -72.65 -60.48 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.053 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -37.27 -28.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 100' ' ' VAL . 18.2 mttt -98.53 -55.13 2.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 103' ' ' LEU . 12.5 mt -44.45 -50.9 9.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 100' ' ' VAL . 35.8 m -50.36 -38.98 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -53.43 -36.87 62.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 88.53 28.27 22.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.493 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 109' ' ' GLN . 42.0 mttp -67.59 103.61 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.552 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 1.8 t80 -38.53 -29.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 107' ' ' LYS . 0.9 OUTLIER -75.85 -72.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -48.73 -21.3 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.653 ' O ' HG22 ' A' ' 115' ' ' ILE . 2.4 m-80 -80.13 -40.63 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.52 ' CE1' HG13 ' A' ' 42' ' ' ILE . 3.1 m-85 -58.02 -50.28 73.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -53.6 -46.04 70.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -64.04 -70.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.653 HG22 ' O ' ' A' ' 111' ' ' ASN . 9.1 tp -50.04 -32.45 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 3.4 tp-100 -60.66 -57.12 14.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 31.8 t90 -68.09 -43.04 79.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -48.11 -24.85 1.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -67.92 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.494 ' HG3' HG11 ' A' ' 12' ' ' VAL . 18.5 pttt -61.02 -22.6 64.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.651 ' HA ' HG21 ' A' ' 12' ' ' VAL . 23.0 t80 -73.74 -19.45 60.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.478 ' O ' ' CB ' ' A' ' 126' ' ' TYR . 0.3 OUTLIER -85.29 -32.92 22.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -79.3 -34.12 42.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.05 -21.64 66.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -109.63 -48.19 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.478 ' CB ' ' O ' ' A' ' 122' ' ' PHE . 54.0 t80 -49.55 111.42 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.09 -67.93 0.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.443 ' HA2' ' CE1' ' A' ' 126' ' ' TYR . . . 162.42 46.75 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.22 142.76 38.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.15 115.58 13.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.525 ' CD2' ' HA ' ' A' ' 57' ' ' MET . 32.7 t80 -118.97 127.79 53.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.626 ' CB ' HD12 ' A' ' 135' ' ' LEU . 2.0 m-80 -97.59 113.78 63.97 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.625 0.726 . . . . 0.0 110.936 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.52 ' O ' ' HB3' ' A' ' 136' ' ' ALA . 53.8 Cg_endo -69.73 -50.33 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.728 2.285 . . . . 0.0 112.329 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.579 HD23 ' NE2' ' A' ' 36' ' ' HIS . 8.9 mt -54.59 -60.83 2.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.626 HD12 ' CB ' ' A' ' 132' ' ' ASN . 69.4 mt -41.59 -23.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 133' ' ' PRO . . . -51.31 -43.43 61.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.9 38.29 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -79.99 157.84 26.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -161.31 -32.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.4 ' CD ' ' H ' ' A' ' 140' ' ' GLN . 0.0 OUTLIER -110.46 179.76 3.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -121.65 -39.65 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 143' ' ' ALA . 95.6 t -38.63 -43.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 142' ' ' VAL . . . -34.94 135.96 0.41 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.602 0.715 . . . . 0.0 111.072 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 110.33 2.54 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.636 2.224 . . . . 0.0 112.345 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 150.72 68.68 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 2.254 . . . . 0.0 112.35 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 131.85 22.16 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.397 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -113.7 141.96 26.92 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.656 0.741 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' A' ' 150' ' ' ASP . 53.3 Cg_endo -69.78 4.88 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 148' ' ' PRO . . . -31.34 94.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.45 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 148' ' ' PRO . 10.1 m-20 -166.99 123.86 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.312 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -123.81 134.57 53.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 17.7 mm -136.57 131.16 47.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -125.71 165.19 19.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.3 t -130.79 -54.2 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 85.61 -178.8 50.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.445 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 178.15 4.9 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.683 2.256 . . . . 0.0 112.359 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 16.9 m -158.93 133.8 8.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 28.6 p -115.5 153.75 30.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.835 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.521 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.411 -0.276 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -74.67 -49.6 20.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.879 0.371 . . . . 0.0 110.809 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -98.82 164.0 12.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.44 106.13 0.4 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.484 ' HB3' ' CG ' ' A' ' 8' ' ' MET . 1.4 t -109.69 -174.49 2.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.919 0.39 . . . . 0.0 110.832 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 7' ' ' GLY . 9.5 t -95.32 145.56 25.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.839 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.92 77.7 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.513 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.484 ' CG ' ' HB3' ' A' ' 5' ' ' SER . 16.7 mmt -119.25 160.86 21.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.924 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . -90.52 115.12 27.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' ASN . 68.7 t -81.24 93.01 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.568 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 10.6 m120 -33.84 112.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.75 HG11 ' HD2' ' A' ' 120' ' ' LYS . 61.8 t -65.38 98.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 11' ' ' ASN . 6.2 m-85 -124.78 128.45 48.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.5 p -142.21 155.71 45.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.535 HG23 ' H ' ' A' ' 16' ' ' SER . 1.6 t -133.31 -54.34 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.535 ' H ' HG23 ' A' ' 15' ' ' THR . 58.3 m -122.47 34.66 5.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.4 m -141.16 147.6 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.5 t -170.64 142.02 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 20' ' ' GLU . 45.3 p -108.58 154.44 21.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 19' ' ' SER . 29.1 mt-10 -35.08 110.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -74.47 123.39 24.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.744 HD22 ' HB3' ' A' ' 26' ' ' ASP . 14.8 mt -77.56 170.91 15.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m -126.11 -76.18 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.0 ptt85 -135.02 -52.71 0.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -60.6 -57.05 14.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.744 ' HB3' HD22 ' A' ' 22' ' ' LEU . 3.0 m-20 -57.52 -40.69 79.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.684 ' HE3' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -58.42 -47.39 84.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.477 ' HG ' HD13 ' A' ' 42' ' ' ILE . 52.6 mt -73.28 -36.14 66.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.75 92.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.086 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.567 ' CD1' ' HE3' ' A' ' 119' ' ' LYS . 21.7 t90 -59.55 -42.22 91.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.48 HG12 ' HB2' ' A' ' 37' ' ' LEU . 91.3 t -79.0 -39.89 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.123 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -62.96 -23.06 67.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -103.49 -32.73 9.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 m -56.43 -68.15 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.57 HD22 ' HG2' ' A' ' 53' ' ' GLN . 3.4 mt -108.26 21.97 16.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 61.77 54.96 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.49 HD12 ' CE2' ' A' ' 39' ' ' TYR . 3.4 mm? -91.23 160.41 15.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -124.55 36.3 4.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.49 ' CE2' HD12 ' A' ' 37' ' ' LEU . 26.0 m-85 -77.57 119.0 20.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.2 t -96.69 -4.1 41.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -140.88 128.17 21.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.578 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 15.5 mm -50.81 -31.23 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.402 ' O ' ' SG ' ' A' ' 46' ' ' CYS . 2.1 pp20? -63.25 -36.51 83.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -48.68 -48.65 39.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.58 HD13 HD13 ' A' ' 115' ' ' ILE . 13.9 mt -41.09 -32.68 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.487 ' O ' ' C ' ' A' ' 47' ' ' SER . 31.3 p -35.37 -43.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.504 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 10.0 t -30.83 -52.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.19 -40.09 2.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.472 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.32 -39.97 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 0.0 111.073 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.37 -64.76 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -46.08 -39.66 9.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.8 m -61.93 -61.84 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.57 ' HG2' HD22 ' A' ' 35' ' ' LEU . 30.1 tt0 -45.03 -33.01 1.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -65.27 -42.25 93.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 48.0 mmm -54.22 -38.72 66.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -65.34 -46.18 81.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.424 ' HG3' ' CB ' ' A' ' 131' ' ' TYR . 2.0 ttm -60.14 -57.71 11.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.606 HD22 ' HB2' ' A' ' 125' ' ' ASN . 62.1 mt -63.49 -55.32 24.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.514 ' CG ' ' HE3' ' A' ' 92' ' ' MET . 0.7 OUTLIER -119.63 96.99 49.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.673 0.749 . . . . 0.0 110.883 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.6 Cg_endo -69.76 140.47 42.77 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.713 2.276 . . . . 0.0 112.325 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.52 27.46 71.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.2 m -116.08 -36.14 4.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.815 0.34 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.6 p -115.96 150.7 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -105.05 96.75 6.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 68' ' ' VAL . 5.1 mp -65.23 -40.34 93.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -43.35 -43.3 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.446 ' O ' ' NE2' ' A' ' 80' ' ' HIS . 12.5 mttp -77.96 -22.86 48.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 65' ' ' LEU . 64.5 t -68.33 135.92 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.444 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 28.7 mttm -99.44 106.81 18.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -77.72 -37.85 48.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -92.71 42.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.17 119.58 12.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -116.85 -39.6 3.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.3 mt -82.71 162.19 21.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.477 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 52.1 tt0 -58.3 -62.42 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.437 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.1 p80 -44.01 -41.36 5.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.437 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 23.6 mt-10 -56.46 -36.27 68.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.477 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.9 m-85 -61.7 -40.64 95.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.686 HG13 HG11 ' A' ' 104' ' ' VAL . 5.2 mp -73.66 -40.75 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.446 ' NE2' ' O ' ' A' ' 67' ' ' LYS . 43.6 t60 -43.26 -67.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 47' ' ' SER . 17.7 p30 -47.3 -39.38 14.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.575 ' CD2' HG13 ' A' ' 100' ' ' VAL . 6.8 m-85 -64.9 -38.67 91.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.5 mttp -50.64 -70.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.7 p -50.55 -38.2 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.9 tp -62.28 -43.48 98.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.438 ' HA ' HD12 ' A' ' 98' ' ' ILE . 7.8 mm-40 -51.17 -38.64 53.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.28 -47.04 86.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.26 -38.57 63.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -69.71 -45.81 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -85.26 2.88 42.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.54 -36.65 14.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.924 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 8.7 ptp -95.29 -41.13 9.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.77 39.25 0.4 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.478 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.531 HG12 ' H ' ' A' ' 96' ' ' LYS . 97.7 t -76.78 126.41 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 111.193 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -88.4 38.78 0.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.531 ' H ' HG12 ' A' ' 94' ' ' VAL . 27.1 tptt -132.28 115.15 15.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 82.7 mt -77.44 146.48 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.15 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' A' ' 86' ' ' GLN . 60.7 mt -103.37 97.29 9.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.598 0.713 . . . . 0.0 111.149 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 81.57 0.81 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.645 2.23 . . . . 0.0 112.318 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.575 HG13 ' CD2' ' A' ' 82' ' ' PHE . 59.3 t -70.06 -62.79 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 100' ' ' VAL . 3.9 mt-10 -34.47 -32.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 100' ' ' VAL . 15.5 mttm -94.01 -52.94 4.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 15.2 mt -48.17 -50.46 28.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.686 HG11 HG13 ' A' ' 79' ' ' ILE . 28.4 m -48.35 -29.13 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 51.3 mmtt -63.72 -34.03 76.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.22 30.87 18.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.18 107.97 2.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.808 0.337 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.69 ' CE2' ' CZ ' ' A' ' 112' ' ' PHE . 2.7 t80 -45.59 -29.6 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.27 -74.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.944 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -47.74 -24.82 1.04 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.402 ' O ' HG22 ' A' ' 115' ' ' ILE . 2.1 m-80 -76.43 -46.26 27.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.69 ' CZ ' ' CE2' ' A' ' 108' ' ' PHE . 2.0 m-85 -49.62 -50.08 44.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.56 -54.6 45.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -46.96 -70.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.58 HD13 HD13 ' A' ' 45' ' ' LEU . 5.1 tp -55.43 -43.34 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.483 ' N ' HG23 ' A' ' 115' ' ' ILE . 2.9 tp60 -46.14 -41.95 13.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -83.95 -27.44 28.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.54 -20.98 66.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.567 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 7.3 tptm -72.55 -64.87 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.75 ' HD2' HG11 ' A' ' 12' ' ' VAL . 9.3 pttm -57.97 -37.22 73.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.531 ' O ' ' ND2' ' A' ' 125' ' ' ASN . 38.0 t80 -63.19 -32.37 73.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -67.52 -32.63 73.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -77.23 -36.94 54.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.82 -35.08 68.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.606 ' HB2' HD22 ' A' ' 58' ' ' LEU . 2.3 m-80 -95.63 -49.16 5.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -52.66 123.71 11.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -104.4 -49.19 3.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 157.9 53.22 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -125.01 117.66 24.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.352 . . . . 0.0 110.83 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -56.42 151.48 13.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.424 ' CB ' ' HG3' ' A' ' 57' ' ' MET . 88.5 t80 -135.58 146.75 48.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.402 ' HA ' ' HD2' ' A' ' 133' ' ' PRO . 5.5 m120 -107.54 93.06 9.37 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.412 ' O ' ' HB3' ' A' ' 136' ' ' ALA . 53.2 Cg_endo -69.79 -48.53 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 11.4 mt -52.61 -51.88 57.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.586 HD23 ' H ' ' A' ' 135' ' ' LEU . 0.2 OUTLIER -45.14 -39.21 5.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 133' ' ' PRO . . . -48.72 -46.07 40.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.41 41.26 2.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -98.92 139.13 35.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -118.81 -108.43 2.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.53 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.38 158.65 16.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.81 0.338 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -81.74 -48.91 11.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 143' ' ' ALA . 96.0 t -43.62 -47.41 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 142' ' ' VAL . . . -34.55 141.29 0.26 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.589 0.709 . . . . 0.0 111.14 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 143.72 51.63 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.685 2.257 . . . . 0.0 112.329 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.52 30.75 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.331 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 110.06 2.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.657 2.238 . . . . 0.0 112.328 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -158.59 142.39 11.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.626 0.727 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -49.68 0.54 Allowed 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.341 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 43.83 80.81 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -115.0 158.28 22.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.725 0.297 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.488 ' C ' ' CD ' ' A' ' 151' ' ' GLN . 0.0 OUTLIER -102.48 40.52 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.874 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.6 ' O ' ' CD2' ' A' ' 153' ' ' PHE . 6.7 tt -74.4 123.08 29.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 152' ' ' ILE . 8.6 m-85 -174.18 156.11 2.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 74.8 p -97.81 -57.06 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -165.52 121.0 0.97 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -33.02 17.43 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.674 2.249 . . . . 0.0 112.332 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 54.1 p 42.75 42.04 2.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 8.9 t -158.3 172.86 17.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.945 . . . . . . . . 0 0 . 1 . 013 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 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 m -99.13 96.73 7.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.832 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.5 p -136.15 170.37 16.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.74 -177.69 19.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -129.82 174.5 9.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.363 . . . . 0.0 110.869 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.2 t -79.37 -52.96 7.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.41 106.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.3 mmt -113.15 162.92 15.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.28 160.76 14.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.9 t -118.26 101.34 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -56.22 132.54 50.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 t -105.1 90.57 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.444 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 1.7 p90 -130.75 24.99 5.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.1 m -65.36 174.39 2.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.5 t -126.23 -37.54 2.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.1 p -113.46 85.28 2.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.5 m -146.79 -175.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.7 52.92 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.478 ' O ' ' C ' ' A' ' 20' ' ' GLU . 1.5 m -96.06 18.39 13.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 19' ' ' SER . 16.4 mt-10 -32.13 101.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -34.45 143.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.546 HD11 ' NZ ' ' A' ' 119' ' ' LYS . 35.7 mt -97.65 -175.09 3.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 24' ' ' ARG . 3.0 m -122.51 163.45 19.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 23' ' ' SER . 13.7 mtm180 -34.17 -58.13 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -49.27 -70.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 29' ' ' ALA . 11.8 m-20 -45.86 -60.37 2.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.638 ' SD ' HG23 ' A' ' 115' ' ' ILE . 4.5 mmt -39.13 -42.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.583 HD11 ' HA ' ' A' ' 41' ' ' LYS . 71.2 mt -82.26 -28.58 31.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -67.02 -50.54 61.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.478 ' CD2' ' HG2' ' A' ' 119' ' ' LYS . 27.9 t90 -50.45 -40.61 51.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.55 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 21.4 t -78.1 -44.85 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -60.38 -13.67 14.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -113.7 -22.14 10.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 m -67.03 -68.41 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.484 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -107.25 21.96 16.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 72.8 m80 62.93 54.68 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.484 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 3.9 mm? -90.9 163.67 14.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -130.34 35.68 4.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.454 ' CE2' HD12 ' A' ' 37' ' ' LEU . 27.3 m-85 -71.21 126.96 31.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.504 ' H ' ' NE2' ' A' ' 44' ' ' GLN . 2.7 m -95.26 -4.92 44.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.583 ' HA ' HD11 ' A' ' 28' ' ' LEU . 77.9 mttt -155.59 143.62 19.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.568 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 12.3 mm -54.69 -39.51 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -52.7 -29.92 29.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.504 ' NE2' ' H ' ' A' ' 40' ' ' THR . 26.9 mt-30 -60.51 -33.83 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.611 HD13 HD13 ' A' ' 115' ' ' ILE . 30.8 mt -59.05 -28.65 66.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 47' ' ' SER . 1.7 p -40.78 -41.26 1.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 46' ' ' CYS . 88.1 p -34.43 -41.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 95.8 -41.83 2.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.52 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -35.19 -56.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.07 -64.07 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -43.58 -33.5 1.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.0 m -70.54 -53.56 15.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.473 ' HA ' HD11 ' A' ' 65' ' ' LEU . 61.9 tt0 -56.5 -25.96 52.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.55 ' CZ ' HG13 ' A' ' 31' ' ' VAL . 22.1 m-85 -69.46 -45.83 68.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 78.2 mmm -55.45 -33.09 63.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -66.95 -43.75 82.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.5 ttm -63.59 -61.69 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.99 -65.06 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -115.38 95.83 44.0 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.66 0.743 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 148.17 64.43 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.359 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.05 4.63 78.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.462 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 32.9 m -99.09 -32.2 11.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.9 p -121.38 150.74 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.416 ' O ' HG23 ' A' ' 68' ' ' VAL . 5.0 t-160 -109.5 111.65 23.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' ' 53' ' ' GLN . 0.7 OUTLIER -76.54 -25.29 53.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -57.87 -38.02 74.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.21 -11.89 57.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 64' ' ' HIS . 57.8 t -79.08 126.48 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -94.6 93.48 7.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.905 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -68.36 -14.14 62.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -106.4 21.26 17.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 77' ' ' GLU . . . -58.84 116.27 3.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -114.48 -29.93 6.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.7 mt -83.3 167.47 17.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -68.71 -53.87 19.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -55.95 -23.9 34.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.587 ' HB3' ' HB1' ' A' ' 72' ' ' ALA . 11.7 mt-10 -70.95 -22.05 62.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.0 m-30 -75.22 -39.2 60.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.549 ' H ' HD12 ' A' ' 79' ' ' ILE . 4.4 mp -68.13 -43.22 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.154 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -50.53 -56.78 10.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -53.05 -32.14 45.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.617 ' CD2' HG13 ' A' ' 100' ' ' VAL . 17.2 m-85 -75.03 -38.67 61.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -49.24 -57.79 6.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.9 p -60.84 -34.01 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.8 -47.02 82.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.47 ' HA ' HD12 ' A' ' 98' ' ' ILE . 10.5 mm-40 -51.83 -36.3 47.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.08 96.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.076 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.53 -22.9 62.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -78.15 -53.1 7.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -65.54 -36.27 83.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -43.87 -50.25 8.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.412 ' HB2' ' HE2' ' A' ' 92' ' ' MET . 3.0 ptm -87.65 -46.85 9.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.19 39.82 0.33 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.506 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.671 HG12 ' H ' ' A' ' 96' ' ' LYS . 79.6 t -69.2 122.33 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 111.123 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -87.46 31.82 0.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.671 ' H ' HG12 ' A' ' 94' ' ' VAL . 13.7 tptm -121.99 105.34 10.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 42.3 mm -63.83 144.91 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.187 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 86' ' ' GLN . 59.7 mt -104.0 98.73 14.27 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 111.074 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 82.22 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.388 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.617 HG13 ' CD2' ' A' ' 82' ' ' PHE . 57.9 t -70.99 -63.37 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -41.56 -23.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 100' ' ' VAL . 14.2 mttt -98.43 -43.22 6.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.4 -48.67 80.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.538 HG11 HG13 ' A' ' 79' ' ' ILE . 10.9 m -55.24 -18.74 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -11.5 60.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 63.58 19.96 63.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.468 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -63.64 103.69 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.568 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 2.0 t80 -40.98 -29.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -78.15 -72.23 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -45.88 -21.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -81.1 -48.98 11.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.485 ' CE1' HG13 ' A' ' 42' ' ' ILE . 5.1 m-85 -46.95 -47.27 21.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -53.56 -48.39 69.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -63.49 -69.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.638 HG23 ' SD ' ' A' ' 27' ' ' MET . 9.0 tp -49.04 -30.37 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.407 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 8.1 tp60 -63.32 -62.93 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.496 ' HA ' ' CD ' ' A' ' 120' ' ' LYS . 3.4 t90 -69.07 -16.07 63.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -69.75 -30.21 67.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.546 ' NZ ' HD11 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -74.36 -51.2 15.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.496 ' CD ' ' HA ' ' A' ' 117' ' ' TRP . 3.8 ptmt -61.94 -35.83 79.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -73.99 -23.14 59.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -71.3 -40.01 71.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -81.99 -30.01 31.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.37 -13.6 14.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -125.63 -45.07 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.489 ' CE1' ' HG2' ' A' ' 129' ' ' LYS . 85.1 t80 -52.65 109.57 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -100.86 39.85 1.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.488 ' HA2' ' CE2' ' A' ' 126' ' ' TYR . . . 65.71 61.42 5.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.489 ' HG2' ' CE1' ' A' ' 126' ' ' TYR . 0.1 OUTLIER -114.42 106.15 13.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 110.894 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -47.34 142.43 4.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -154.26 130.74 10.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.432 ' CG ' ' HG ' ' A' ' 135' ' ' LEU . 2.7 t-20 -105.87 110.92 64.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.628 0.728 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -36.76 10.24 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.652 2.234 . . . . 0.0 112.312 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 21.4 mt -60.86 -51.28 69.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.439 ' HA ' ' CG ' ' A' ' 138' ' ' GLN . 57.8 mt -51.42 -35.15 37.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -56.22 -24.83 44.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.3 28.61 4.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.439 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 43.9 mm-40 -86.03 137.83 32.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 139.99 43.1 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.446 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.428 ' OE1' ' HB2' ' A' ' 143' ' ' ALA . 0.5 OUTLIER -150.82 163.84 37.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 0.0 110.924 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 142' ' ' VAL . 17.8 t0 -68.59 -45.74 71.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 141' ' ' ASP . 61.7 t -36.69 -36.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.515 ' HB1' ' HD2' ' A' ' 144' ' ' PRO . . . -46.23 158.37 0.38 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.526 0.679 . . . . 0.0 111.113 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' PRO . . . . . 0.515 ' HD2' ' HB1' ' A' ' 143' ' ' ALA . 53.7 Cg_endo -69.81 159.0 54.97 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.671 2.247 . . . . 0.0 112.322 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 156.64 62.93 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.35 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 4.85 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.359 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -39.36 144.27 0.47 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.716 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -45.11 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.645 2.23 . . . . 0.0 112.322 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -177.9 -116.53 0.49 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.66 79.59 9.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.311 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -122.46 160.89 24.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.448 HG22 ' H ' ' A' ' 155' ' ' GLY . 44.9 mt -48.18 117.67 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 154' ' ' SER . 75.0 t80 -57.5 -73.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 153' ' ' PHE . 32.3 t -36.98 -55.45 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.448 ' H ' HG22 ' A' ' 152' ' ' ILE . . . 135.88 -98.93 0.3 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -42.89 3.0 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.623 2.215 . . . . 0.0 112.349 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 25.4 p -40.08 128.38 2.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.7 m -97.21 116.46 29.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -78.84 -51.98 8.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.812 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t -88.07 106.36 18.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.03 69.13 0.36 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.4 p -66.84 -33.46 75.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.838 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.5 m -105.19 172.9 6.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.824 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.25 -47.2 1.07 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.438 ' C ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -105.21 -179.97 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.866 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.785 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . -83.54 134.8 34.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.3 t -87.79 89.56 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -41.21 111.75 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.565 HG21 ' HA ' ' A' ' 121' ' ' PHE . 11.6 t -91.65 101.08 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.136 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -108.72 35.55 3.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.5 m -118.56 45.67 1.99 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.4 p -102.62 159.89 15.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.7 p 48.76 36.48 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.67 -28.34 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.2 t -110.6 162.87 14.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.26 -4.81 59.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.401 ' O ' ' OD1' ' A' ' 21' ' ' ASN . 1.1 tt0 -65.36 118.55 9.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 20' ' ' GLU . 1.4 m-20 -144.86 124.81 13.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.4 mt -95.53 163.31 13.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 t -122.95 -176.37 3.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -47.66 -45.79 28.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -58.5 -69.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 29' ' ' ALA . 11.4 m-20 -52.1 -61.44 2.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.554 ' SD ' HG23 ' A' ' 115' ' ' ILE . 4.5 mmt -37.16 -43.36 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.431 ' O ' ' ND2' ' A' ' 32' ' ' ASN . 31.4 mt -78.95 -38.66 36.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -58.32 -42.81 87.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.565 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 4.5 t90 -57.99 -55.37 35.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.406 ' CG2' HD11 ' A' ' 115' ' ' ILE . 62.9 t -66.4 -34.85 72.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 28' ' ' LEU . 2.0 m-80 -62.72 -20.93 65.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -104.95 -31.45 9.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.4 m -54.87 -66.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.551 HD11 ' CD2' ' A' ' 54' ' ' PHE . 0.8 OUTLIER -111.49 18.47 19.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 64.1 52.28 2.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.0 mm? -83.36 166.42 18.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -135.02 38.9 2.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.428 ' HB2' HD22 ' A' ' 28' ' ' LEU . 22.7 m-85 -80.45 124.58 29.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.1 p -90.86 -12.08 37.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -140.5 144.26 35.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.564 HG13 ' CE1' ' A' ' 112' ' ' PHE . 6.4 mm -61.21 -33.06 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -59.48 -33.0 70.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -53.19 -46.09 68.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.9 mt -43.8 -28.51 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 47' ' ' SER . 17.3 p -42.57 -37.66 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.45 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 2.5 p -34.37 -40.61 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 96.28 -46.99 1.8 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.26 -57.23 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.819 0.343 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.8 -64.57 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -43.01 -38.36 2.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.0 m -66.18 -56.81 9.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -48.23 -25.36 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.551 ' CD2' HD11 ' A' ' 35' ' ' LEU . 10.4 m-85 -72.3 -46.89 53.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 59.4 mmm -51.47 -39.7 58.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -60.09 -52.02 67.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.47 ' HG3' ' CB ' ' A' ' 131' ' ' TYR . 5.2 ttm -58.37 -56.04 27.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.58 -64.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 4.0 m-85 -114.84 99.91 52.68 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.699 0.761 . . . . 0.0 110.866 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.0 Cg_endo -69.8 143.21 49.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.31 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.08 18.89 78.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.452 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.8 m -108.45 -35.63 6.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.357 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.1 p -116.3 155.77 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.415 ' O ' HG23 ' A' ' 68' ' ' VAL . 1.3 t-80 -114.78 96.84 5.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.2 mp -65.12 -30.08 70.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.26 -43.26 67.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.432 ' O ' ' NE2' ' A' ' 80' ' ' HIS . 15.2 mttt -80.46 -19.89 45.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 64' ' ' HIS . 54.6 t -68.94 131.34 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -98.02 102.4 14.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -75.39 -37.18 60.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -87.58 36.24 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.01 130.6 43.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.063 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -129.2 -35.77 1.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 49.9 mt -78.13 171.06 15.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.563 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 14.5 tt0 -71.85 -60.6 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -48.58 -33.42 9.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -64.84 -33.23 75.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.563 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 23.2 m-85 -62.25 -28.13 69.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.551 HG13 HG11 ' A' ' 104' ' ' VAL . 3.9 mp -81.09 -38.83 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.152 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.432 ' NE2' ' O ' ' A' ' 67' ' ' LYS . 38.6 t60 -46.22 -65.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 47' ' ' SER . 7.9 p30 -50.84 -28.75 10.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.655 ' CD2' HG13 ' A' ' 100' ' ' VAL . 2.8 m-85 -78.34 -33.82 48.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -57.29 -66.47 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.4 p -55.16 -32.0 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.7 tp -64.49 -49.25 72.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -48.11 -41.38 26.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.99 -41.9 71.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.57 -34.93 71.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.477 ' CD2' HG11 ' A' ' 94' ' ' VAL . 3.3 m-85 -64.97 -55.46 18.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' MET . 0.4 OUTLIER -64.56 -41.09 96.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 90' ' ' LYS . 28.5 mttp -34.11 -35.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.785 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 8.7 ptp -111.31 -38.88 4.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 121.46 35.56 0.79 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.445 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.725 HG12 ' H ' ' A' ' 96' ' ' LYS . 40.6 t -54.05 122.58 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 111.11 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -83.48 36.65 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.725 ' H ' HG12 ' A' ' 94' ' ' VAL . 14.8 tptt -135.2 117.39 15.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 37.7 mm -77.41 143.76 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.45 HD11 ' CE1' ' A' ' 89' ' ' PHE . 38.4 mt -103.26 97.29 9.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 111.187 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 79.31 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.69 ' O ' HG22 ' A' ' 104' ' ' VAL . 66.1 t -66.63 -63.27 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 100' ' ' VAL . 5.2 mm-40 -36.06 -37.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -87.57 -43.07 12.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.7 mt -59.3 -56.12 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 100' ' ' VAL . 13.2 m -42.86 -48.05 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 104' ' ' VAL . 6.8 mmpt? -32.83 -40.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.86 29.62 12.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -72.76 172.08 11.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.482 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 1.4 t80 -100.69 -30.45 11.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -73.45 -71.06 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -49.45 -24.1 1.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -77.1 -45.39 27.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.564 ' CE1' HG13 ' A' ' 42' ' ' ILE . 3.4 m-85 -51.03 -60.8 2.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -44.35 -63.77 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -39.28 -70.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.554 HG23 ' SD ' ' A' ' 27' ' ' MET . 8.8 tp -52.68 -33.94 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.183 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.445 ' OE1' ' C ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -56.98 -60.9 2.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.563 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 3.6 t90 -68.18 -28.77 67.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -59.17 -26.46 64.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.565 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 22.6 tptp -65.3 -66.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -55.5 -48.22 74.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.565 ' HA ' HG21 ' A' ' 12' ' ' VAL . 28.9 t80 -56.42 -33.39 65.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.558 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 0.5 OUTLIER -72.22 -41.62 66.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -72.6 -34.9 67.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -54.48 -35.78 63.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 121' ' ' PHE . 0.9 OUTLIER -100.84 -48.16 4.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.508 ' CZ ' ' HA2' ' A' ' 128' ' ' GLY . 18.6 t80 -41.89 133.61 2.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -131.41 41.83 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.508 ' HA2' ' CZ ' ' A' ' 126' ' ' TYR . . . 45.07 67.8 1.1 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.495 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 130' ' ' ASP . 2.5 mtmp? -98.61 19.8 14.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 129' ' ' LYS . 2.0 t70 34.2 41.27 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.47 ' CB ' ' HG3' ' A' ' 57' ' ' MET . 78.1 t80 -51.38 151.94 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.643 ' CB ' HD12 ' A' ' 135' ' ' LEU . 2.2 m-80 -114.73 99.44 51.79 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.639 0.733 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.483 ' O ' ' HB3' ' A' ' 136' ' ' ALA . 53.9 Cg_endo -69.77 -47.28 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.651 2.234 . . . . 0.0 112.358 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 44.6 mt -52.1 -52.72 49.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.643 HD12 ' CB ' ' A' ' 132' ' ' ASN . 76.3 mt -50.2 -40.08 46.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 133' ' ' PRO . . . -45.46 -38.02 5.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.07 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -119.68 42.69 2.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -105.8 84.23 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -146.18 -72.62 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.421 ' CD ' ' H ' ' A' ' 140' ' ' GLN . 2.8 pm0 -81.44 174.9 11.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 142' ' ' VAL . 8.9 t70 -120.3 -40.09 2.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 141' ' ' ASP . 85.9 t -36.16 -44.33 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -36.14 137.97 0.47 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.537 0.684 . . . . 0.0 111.098 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 126.9 13.85 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.701 2.268 . . . . 0.0 112.336 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 147.27 62.67 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.333 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 139.5 40.45 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.652 2.235 . . . . 0.0 112.349 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -92.52 143.84 27.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.667 0.746 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 149' ' ' GLY . 54.1 Cg_endo -69.79 -45.62 1.51 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.631 2.221 . . . . 0.0 112.348 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 148' ' ' PRO . . . 36.04 63.77 0.61 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.494 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -110.03 88.92 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -70.91 98.6 1.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 74.1 mt -87.64 100.67 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -153.78 128.87 9.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.3 m -161.86 144.58 11.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 174.31 -178.42 46.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.515 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 155.93 64.57 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.342 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 29.4 t -133.57 42.22 3.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 27.7 p -143.68 159.11 43.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.494 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -146.72 140.25 25.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.2 m -57.38 98.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.7 97.63 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 p -118.89 39.08 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 110.849 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -161.24 130.75 4.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.89 -43.73 1.63 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.485 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.3 mmt -115.45 162.53 17.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.717 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . -83.14 166.75 18.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 11' ' ' ASN . 67.0 t -132.6 87.35 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 10' ' ' VAL . 1.8 m-80 -34.07 142.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.781 HG11 ' HG3' ' A' ' 120' ' ' LYS . 2.2 t -123.22 68.23 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.21 -1.49 56.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 m -78.17 142.56 37.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.2 t -71.8 137.71 47.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 17' ' ' VAL . 19.7 m -89.2 113.83 25.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.5 HG23 ' N ' ' A' ' 18' ' ' THR . 11.5 m -34.4 -50.83 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.5 ' N ' HG23 ' A' ' 17' ' ' VAL . 42.6 p -55.86 112.83 1.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.67 -2.01 48.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -111.85 114.53 27.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -74.5 169.21 18.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.8 mt -78.28 170.24 16.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 24' ' ' ARG . 8.1 t -120.27 157.55 28.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 23' ' ' SER . 16.1 ttt180 -33.97 -49.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -50.35 -70.42 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -52.87 -52.61 56.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.2 mmt -46.72 -42.33 16.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.3 mt -81.01 -31.01 34.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.93 -33.42 74.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.542 ' CD1' ' HE3' ' A' ' 119' ' ' LYS . 14.4 t90 -64.18 -42.02 96.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.3 t -81.69 -41.84 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.17 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -60.86 -17.49 50.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.97 -43.81 4.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 m -53.5 -67.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.604 HD22 ' HG2' ' A' ' 53' ' ' GLN . 11.2 mt -98.74 15.07 26.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 58.01 54.03 6.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.541 HD23 ' HB2' ' A' ' 35' ' ' LEU . 2.3 mm? -87.29 170.83 11.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -132.91 37.79 3.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -78.53 122.65 26.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.536 HG23 ' HG3' ' A' ' 41' ' ' LYS . 12.2 t -93.23 -9.18 40.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.536 ' HG3' HG23 ' A' ' 40' ' ' THR . 9.0 mtmp? -147.04 137.55 23.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.523 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 3.3 mm -54.17 -46.01 67.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.135 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -44.66 -32.31 1.44 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' CYS . 25.5 mt-30 -57.99 -46.35 85.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.1 mt -40.04 -27.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 47' ' ' SER . 31.7 p -43.1 -39.06 2.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 46' ' ' CYS . 3.2 t -33.85 -44.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 100.41 -50.17 1.08 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -33.75 -56.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.71 -60.69 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -50.3 -37.96 39.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 11.2 m -67.64 -51.41 50.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.604 ' HG2' HD22 ' A' ' 35' ' ' LEU . 30.1 tt0 -54.22 -25.65 24.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.475 ' CG ' HD11 ' A' ' 35' ' ' LEU . 8.8 m-85 -73.29 -45.16 57.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 46.3 mmm -47.66 -42.85 25.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -65.73 -39.11 90.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.838 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.481 ' SD ' ' CB ' ' A' ' 131' ' ' TYR . 6.8 tpp -56.37 -58.73 6.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.563 HD11 ' HA ' ' A' ' 122' ' ' PHE . 74.5 mt -73.72 -62.44 1.49 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.412 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 2.0 m-85 -103.07 96.01 7.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.656 0.741 . . . . 0.0 110.919 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.5 Cg_endo -69.77 142.87 49.06 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.245 . . . . 0.0 112.324 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.28 19.64 72.52 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 23.6 m -104.07 -35.99 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.2 p -116.37 152.88 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.452 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 1.1 t-80 -106.77 99.46 9.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 mp -66.04 -36.87 84.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.452 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 11.4 mmm180 -47.72 -42.79 26.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.856 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -76.89 -23.04 52.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 49' ' ' ALA . 71.8 t -70.56 130.85 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.415 ' HE2' ' CD2' ' A' ' 80' ' ' HIS . 32.2 mttm -99.57 105.27 17.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -74.2 -43.78 55.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -82.8 40.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.96 121.31 20.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -117.35 -37.79 3.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.5 mt -79.74 166.48 21.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.949 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.452 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 41.7 tt0 -65.53 -62.75 1.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.4 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.2 p80 -43.73 -39.25 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.4 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 26.4 mt-10 -56.32 -38.23 71.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.452 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.7 m-85 -64.14 -40.5 96.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.539 HG13 HG11 ' A' ' 104' ' ' VAL . 3.7 mp -65.07 -49.1 81.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.415 ' CD2' ' HE2' ' A' ' 69' ' ' LYS . 55.9 t60 -48.48 -60.17 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -46.97 -33.77 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.546 ' CD2' HG13 ' A' ' 100' ' ' VAL . 13.3 m-85 -75.49 -42.04 53.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.7 mttp -44.53 -62.07 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.6 p -55.51 -39.11 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.1 tp -60.25 -47.8 84.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -51.24 -36.27 41.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.26 89.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.85 -34.23 76.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.475 ' CG ' HD11 ' A' ' 98' ' ' ILE . 3.5 m-85 -62.92 -44.61 95.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 91' ' ' LYS . 50.7 mmtt -74.04 -38.86 63.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 90' ' ' LYS . 12.1 mtpp -34.7 -40.44 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.717 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 16.6 ptp -102.18 -43.81 5.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.96 29.26 0.88 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.631 HG12 ' H ' ' A' ' 96' ' ' LYS . 83.6 t -54.4 120.58 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.126 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -86.99 36.7 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.631 ' H ' HG12 ' A' ' 94' ' ' VAL . 16.3 tptt -124.93 98.27 5.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.401 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 34.3 mm -59.57 138.72 20.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.475 HD11 ' CG ' ' A' ' 89' ' ' PHE . 60.0 mt -100.19 99.85 10.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.646 0.736 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 97' ' ' ILE . 53.4 Cg_endo -69.82 82.64 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.737 ' O ' HG22 ' A' ' 104' ' ' VAL . 66.7 t -72.57 -53.53 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -46.09 -24.63 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -99.62 -53.72 3.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 23.2 mt -49.42 -54.91 15.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.737 HG22 ' O ' ' A' ' 100' ' ' VAL . 33.1 m -45.36 -41.45 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.439 ' N ' HG23 ' A' ' 104' ' ' VAL . 5.4 mmmm -51.36 -35.38 38.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.03 36.1 6.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -73.91 107.46 6.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.646 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 5.1 t80 -47.36 -30.73 3.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -75.95 -71.19 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -48.84 -19.64 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -80.9 -50.29 9.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.646 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 1.9 m-85 -45.77 -47.86 15.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -56.2 -58.92 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -46.54 -70.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.504 HG23 ' N ' ' A' ' 116' ' ' GLN . 8.8 tp -51.71 -44.55 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.128 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.504 ' N ' HG23 ' A' ' 115' ' ' ILE . 18.3 tp60 -49.58 -49.04 48.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.506 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 8.1 t90 -73.59 -42.25 61.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -52.91 -18.45 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.542 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 10.2 tptm -66.95 -58.03 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.781 ' HG3' HG11 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -71.93 -32.14 67.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.566 ' HE1' ' HB1' ' A' ' 9' ' ' ALA . 43.1 t80 -65.23 -24.08 67.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.563 ' HA ' HD11 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -79.85 -44.77 19.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -70.0 -36.61 75.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -49.5 -37.36 26.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 126' ' ' TYR . 3.1 m-80 -101.02 -41.89 6.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.468 ' CZ ' ' HA2' ' A' ' 128' ' ' GLY . 69.9 t80 -35.19 128.87 0.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -123.28 36.33 4.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.468 ' HA2' ' CZ ' ' A' ' 126' ' ' TYR . . . 53.65 86.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.19 166.74 23.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.07 132.22 45.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.481 ' CB ' ' SD ' ' A' ' 57' ' ' MET . 62.5 t80 -139.56 147.33 41.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -122.68 102.92 38.1 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.623 0.725 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.423 ' HG3' ' C ' ' A' ' 35' ' ' LEU . 53.9 Cg_endo -69.71 -19.27 36.59 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.704 2.27 . . . . 0.0 112.369 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.2 mt -76.74 -54.16 7.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.416 ' HA ' ' CG ' ' A' ' 138' ' ' GLN . 65.7 mt -47.25 -39.33 14.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -47.66 -35.94 10.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.05 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -121.66 40.23 3.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.416 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 32.7 mm-40 -99.13 142.63 30.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 173.83 -87.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.51 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -94.18 142.22 27.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 142' ' ' VAL . 1.0 OUTLIER -78.03 -41.96 33.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 141' ' ' ASP . 84.3 t -36.67 -43.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -36.63 150.17 0.14 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.575 0.703 . . . . 0.0 111.105 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 116.1 4.4 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.734 2.29 . . . . 0.0 112.33 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 160.59 49.12 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.723 2.282 . . . . 0.0 112.324 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 141.9 46.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.665 2.243 . . . . 0.0 112.308 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ASN . . . . . 0.421 ' C ' ' OD1' ' A' ' 147' ' ' ASN . 5.6 p30 -40.61 146.56 0.44 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.72 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -43.1 2.89 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.725 2.283 . . . . 0.0 112.319 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 162.85 62.75 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.53 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -48.37 112.7 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.758 0.313 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -82.32 156.37 24.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.956 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 20.2 tt -94.06 146.51 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.176 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -42.83 112.22 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.5 t -73.14 111.95 8.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 152.57 119.72 0.81 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 116.19 4.44 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 0.0 112.335 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 79.2 p -90.43 128.69 36.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.6 m 42.84 41.36 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.445 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 m -64.15 150.67 45.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.381 . . . . 0.0 110.821 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 m -103.19 -62.38 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.03 -156.41 10.58 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -53.54 178.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.842 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -56.04 131.47 47.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.37 140.07 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.46 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -131.79 170.97 14.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.783 0.325 . . . . 0.0 110.838 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.874 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . -82.84 156.23 23.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.108 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.493 HG23 HD22 ' A' ' 125' ' ' ASN . 22.0 t -139.74 123.17 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 1.6 m-80 -82.46 30.63 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.516 HG21 ' HB2' ' A' ' 120' ' ' LYS . 16.2 t 34.88 52.76 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 11' ' ' ASN . 11.7 m-85 -57.49 -44.09 84.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.9 p -45.73 160.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.8 t -119.36 128.42 54.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.7 m -97.77 130.79 44.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.451 HG13 ' N ' ' A' ' 18' ' ' THR . 14.5 p -101.9 -41.34 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.451 ' N ' HG13 ' A' ' 17' ' ' VAL . 22.5 p -44.63 -56.61 4.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.4 m -119.11 150.12 40.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 21' ' ' ASN . 14.5 pt-20 -105.45 -52.19 2.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.418 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 6.6 p30 -156.98 148.48 22.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.455 HD11 ' NZ ' ' A' ' 119' ' ' LYS . 48.7 mt -93.52 170.0 9.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.944 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 24' ' ' ARG . 4.8 m -110.34 162.19 14.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 23' ' ' SER . 8.7 ptt-85 -34.63 -50.34 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -57.98 -72.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -41.8 -52.93 3.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.698 ' SD ' HG23 ' A' ' 115' ' ' ILE . 0.7 OUTLIER -45.41 -46.56 13.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.9 mt -76.77 -33.15 58.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.19 -37.67 86.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.527 ' CD2' ' HG2' ' A' ' 119' ' ' LYS . 24.2 t90 -62.34 -49.88 73.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.1 t -71.66 -37.33 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.187 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -58.25 -21.33 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -104.92 -36.01 7.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.7 m -49.18 -67.19 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.468 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 1.7 mt -110.49 19.14 19.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 62.66 50.83 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.4 mm? -79.99 168.35 19.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -132.99 32.48 3.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -72.04 138.7 48.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.442 ' C ' ' HG3' ' A' ' 41' ' ' LYS . 2.4 m -111.88 2.53 17.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.442 ' HG3' ' C ' ' A' ' 40' ' ' THR . 2.4 mtpp -153.88 147.92 25.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.51 HD11 ' HB2' ' A' ' 27' ' ' MET . 2.8 mm -69.15 -27.87 36.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.51 ' OE1' ' CE1' ' A' ' 108' ' ' PHE . 1.6 pm0 -65.87 -32.46 73.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.834 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 46' ' ' CYS . 24.6 mt-30 -57.11 -48.2 79.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.508 HD13 HD13 ' A' ' 115' ' ' ILE . 12.4 mt -40.88 -25.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' GLN . 23.5 p -42.45 -36.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 46' ' ' CYS . 24.1 p -34.92 -45.25 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 97.25 -45.63 1.76 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.434 ' HA ' ' CG1' ' A' ' 68' ' ' VAL . . . -37.18 -62.43 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.787 0.327 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.79 -58.68 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -46.49 -36.57 6.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.5 m -68.94 -49.12 60.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -53.81 -23.14 11.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.464 ' CD2' HD11 ' A' ' 35' ' ' LEU . 12.6 m-85 -75.28 -47.57 27.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.8 mmm -51.85 -34.31 40.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -67.83 -42.54 81.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.0 ttm -59.62 -63.24 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.788 HD22 ' HB2' ' A' ' 125' ' ' ASN . 20.0 mt -59.75 -66.5 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.422 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 4.0 m-85 -104.88 100.53 24.42 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.655 0.74 . . . . 0.0 110.888 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.75 142.21 47.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.331 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.77 28.92 74.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 87.3 m -112.04 -38.74 4.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.497 HG13 HD13 ' A' ' 65' ' ' LEU . 5.9 p -113.35 147.33 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.483 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 1.0 OUTLIER -102.96 96.99 7.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.497 HD13 HG13 ' A' ' 63' ' ' VAL . 2.1 mp -66.44 -35.39 80.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.483 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 11.2 mpt_? -48.6 -43.12 35.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -76.77 -21.0 55.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.434 ' CG1' ' HA ' ' A' ' 49' ' ' ALA . 78.2 t -73.75 132.75 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -101.42 107.4 18.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -76.77 -41.31 45.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -84.15 38.01 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.46 132.67 43.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -127.51 -33.43 2.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 79.8 mt -80.61 160.28 25.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.569 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 17.8 tt0 -61.7 -62.92 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.44 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.8 p80 -41.73 -42.17 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.44 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 23.3 mt-10 -55.75 -39.37 71.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 18.8 m-85 -56.93 -39.28 74.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.956 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.606 HG13 HG11 ' A' ' 104' ' ' VAL . 4.1 mp -71.83 -50.41 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -42.96 -60.6 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -49.27 -36.8 21.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.55 ' CD2' HG13 ' A' ' 100' ' ' VAL . 7.2 m-85 -73.62 -34.99 65.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -51.66 -63.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.3 p -54.69 -35.31 32.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.85 -51.6 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -46.57 -30.54 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.72 -46.85 83.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.24 -17.11 62.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -85.5 -44.69 12.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -77.59 -31.51 53.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 92' ' ' MET . 1.1 ptmt -42.61 -40.5 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.874 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 5.0 ptp -101.18 -41.58 6.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.58 27.23 1.08 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.585 HG12 ' H ' ' A' ' 96' ' ' LYS . 47.7 t -54.78 119.63 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.164 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.05 30.15 0.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.585 ' H ' HG12 ' A' ' 94' ' ' VAL . 2.9 tmtm? -113.4 91.68 3.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.401 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 93.4 mt -57.87 134.7 22.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 67.7 mt -98.49 101.75 12.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.639 0.733 . . . . 0.0 111.139 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 97' ' ' ILE . 53.7 Cg_endo -69.79 81.34 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.322 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.55 HG13 ' CD2' ' A' ' 82' ' ' PHE . 58.4 t -72.99 -60.98 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 100' ' ' VAL . 1.9 mt-10 -36.84 -29.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 100' ' ' VAL . 17.3 mttm -97.85 -56.08 2.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.7 mt -43.56 -51.27 6.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.606 HG11 HG13 ' A' ' 79' ' ' ILE . 33.1 m -51.62 -46.34 37.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.542 ' N ' HG23 ' A' ' 104' ' ' VAL . 1.1 mmmp? -36.29 -32.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 104' ' ' VAL . . . 82.11 36.69 17.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.437 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.4 mmtm -78.07 179.16 6.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.353 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.603 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 4.3 t80 -110.63 -17.67 13.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.501 ' C ' ' CD ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -86.69 -72.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.31 -23.51 1.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -78.28 -34.03 49.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.603 ' CD2' ' O ' ' A' ' 108' ' ' PHE . 2.0 m-85 -62.8 -56.56 16.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -51.49 -37.24 48.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -66.71 -69.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.698 HG23 ' SD ' ' A' ' 27' ' ' MET . 9.9 tp -56.77 -23.62 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -64.59 -52.01 59.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.574 ' CH2' ' HG3' ' A' ' 96' ' ' LYS . 8.5 t90 -76.15 -42.45 46.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -41.35 -49.16 3.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.527 ' HG2' ' CD2' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -46.93 -47.94 21.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.516 ' HB2' HG21 ' A' ' 12' ' ' VAL . 7.6 mttt -66.23 -53.49 36.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.599 ' CE2' ' OD1' ' A' ' 125' ' ' ASN . 68.0 t80 -47.12 -30.99 3.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.38 -42.24 79.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.84 -27.86 58.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.409 ' HB1' HG11 ' A' ' 10' ' ' VAL . . . -67.37 -38.9 85.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.788 ' HB2' HD22 ' A' ' 58' ' ' LEU . 1.6 m120 -90.53 -53.23 4.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.511 ' CE2' ' HA2' ' A' ' 128' ' ' GLY . 62.6 t80 -42.44 122.3 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -117.03 33.61 5.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.511 ' HA2' ' CE2' ' A' ' 126' ' ' TYR . . . 69.8 74.8 0.62 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.451 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -138.43 129.4 26.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -68.87 122.71 19.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -129.92 139.15 51.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.437 ' HA ' ' HD2' ' A' ' 133' ' ' PRO . 7.3 m120 -104.23 104.97 47.11 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.62 0.724 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.473 ' O ' ' HB3' ' A' ' 136' ' ' ALA . 53.8 Cg_endo -69.68 -49.59 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 135' ' ' LEU . 12.6 mt -55.18 -65.8 0.52 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.654 HD23 ' H ' ' A' ' 135' ' ' LEU . 0.2 OUTLIER -33.17 -39.08 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 133' ' ' PRO . . . -40.91 -55.98 2.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 137' ' ' ARG . 5.1 mmm180 -134.94 46.18 2.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.68 147.59 31.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -166.51 -46.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.521 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -139.88 169.7 17.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.69 -41.3 4.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 143' ' ' ALA . 96.0 t -38.62 -40.84 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 142' ' ' VAL . . . -35.88 136.24 0.5 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.566 0.698 . . . . 0.0 111.108 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' PRO . . . . . 0.434 ' HA ' ' HD2' ' A' ' 145' ' ' PRO . 54.0 Cg_endo -69.73 110.37 2.53 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.344 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 144' ' ' PRO . 53.3 Cg_endo -69.81 166.3 28.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.723 2.282 . . . . 0.0 112.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 139.47 40.08 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -101.48 137.23 19.57 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.617 0.722 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -161.68 0.08 OUTLIER 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 174.27 128.88 1.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -106.49 126.3 52.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.495 ' C ' HD12 ' A' ' 152' ' ' ILE . 19.4 tt0 -126.18 144.57 50.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.495 HD12 ' C ' ' A' ' 151' ' ' GLN . 5.0 mp -138.83 118.8 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.126 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -145.31 118.93 9.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 10.9 t -138.04 165.88 25.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -166.47 159.57 32.92 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.532 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 167.39 24.53 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.383 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 6.4 t -61.96 142.77 57.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.4 t -101.66 -61.71 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.491 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -88.28 111.29 21.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.829 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.1 p -93.41 -24.8 17.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.43 171.91 38.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -172.55 122.65 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.364 . . . . 0.0 110.862 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.7 p -108.56 175.65 5.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.69 -37.48 2.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.1 mmt -113.88 168.01 10.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.8 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . -85.48 139.97 31.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.9 t -105.79 95.68 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.168 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.545 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 1.2 m-80 -43.94 113.82 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.439 ' CG2' ' HA ' ' A' ' 121' ' ' PHE . 35.1 t -74.64 97.5 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 11' ' ' ASN . 7.5 m-85 -119.22 78.88 1.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.0 p -111.39 166.3 11.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.2 t -131.65 124.48 29.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.153 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 17' ' ' VAL . 3.3 m -162.92 162.65 26.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.569 HG22 ' H ' ' A' ' 19' ' ' SER . 9.0 p -34.13 139.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.0 t -76.66 6.72 5.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.569 ' H ' HG22 ' A' ' 17' ' ' VAL . 1.6 t -115.11 14.22 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 21' ' ' ASN . 0.8 OUTLIER -97.87 120.77 38.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 20' ' ' GLU . 32.5 m-20 -173.2 160.87 4.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.7 mt -84.3 168.56 15.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 24' ' ' ARG . 2.2 m -111.92 158.86 18.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 23' ' ' SER . 9.7 mtm-85 -33.92 -68.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.816 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 24' ' ' ARG . 46.4 t60 -36.28 -69.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 29' ' ' ALA . 1.1 m-20 -50.91 -64.4 0.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.445 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 3.7 mmt -34.65 -47.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.409 HD11 ' CA ' ' A' ' 41' ' ' LYS . 20.1 mt -75.63 -37.36 59.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -60.1 -40.53 89.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.098 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.56 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 30.0 t90 -56.52 -46.09 80.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.505 HG11 HD21 ' A' ' 45' ' ' LEU . 33.8 t -75.16 -45.84 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.145 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -60.51 -11.12 6.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -115.45 -29.94 6.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.1 m -60.96 -52.84 63.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.586 HD22 ' HG2' ' A' ' 53' ' ' GLN . 0.8 OUTLIER -123.8 18.22 9.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 62.97 53.88 2.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.495 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.5 mm? -86.09 158.76 19.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -118.71 39.63 3.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.575 ' HE2' ' HB2' ' A' ' 50' ' ' ALA . 29.8 m-85 -85.97 118.16 25.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 40' ' ' THR . 28.9 m -93.11 -8.38 42.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' CA ' HD11 ' A' ' 28' ' ' LEU . 41.1 mtpt -142.23 128.85 20.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.533 HG13 ' CE1' ' A' ' 112' ' ' PHE . 4.6 mm -46.14 -45.44 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -49.6 -35.26 20.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.41 ' C ' ' N ' ' A' ' 46' ' ' CYS . 13.1 mm-40 -51.17 -48.4 61.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.541 HD13 HD13 ' A' ' 115' ' ' ILE . 18.0 mt -43.56 -23.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 47' ' ' SER . 30.3 p -42.87 -38.94 2.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.502 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 42.5 m -34.39 -48.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.09 -38.77 3.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 69' ' ' LYS . . . -43.44 -60.0 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.32 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.575 ' HB2' ' HE2' ' A' ' 39' ' ' TYR . . . -39.87 -60.12 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 45' ' ' LEU . 18.1 m-85 -51.43 -39.32 57.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.416 ' O ' HG11 ' A' ' 63' ' ' VAL . 32.9 m -66.21 -46.96 75.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.586 ' HG2' HD22 ' A' ' 35' ' ' LEU . 37.8 tt0 -58.09 -22.49 50.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.493 ' CD2' HD11 ' A' ' 35' ' ' LEU . 11.0 m-85 -78.09 -45.86 22.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 54.7 mmm -50.06 -37.19 32.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -69.89 -37.6 76.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.482 ' HA ' ' CD2' ' A' ' 131' ' ' TYR . 2.2 ttm -66.47 -57.09 8.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.526 HD21 ' CD1' ' A' ' 122' ' ' PHE . 16.3 mt -61.23 -60.72 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' A' ' 62' ' ' CYS . 5.6 m-85 -113.76 110.83 49.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.617 0.722 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 138.09 36.97 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.65 2.233 . . . . 0.0 112.335 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.31 22.49 72.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.768 ' SG ' ' HB1' ' A' ' 88' ' ' ALA . 0.5 OUTLIER -99.91 -37.09 9.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 -179.863 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.416 HG11 ' O ' ' A' ' 52' ' ' CYS . 2.7 p -119.47 161.6 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.527 ' O ' HG23 ' A' ' 68' ' ' VAL . 2.5 t-160 -114.3 104.43 12.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.1 mp -71.33 -32.73 68.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -55.62 -33.86 64.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -93.53 10.53 32.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 64' ' ' HIS . 46.8 t -104.65 140.62 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 2.0 mtpp -97.69 103.52 15.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -74.58 -26.89 60.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -120.13 57.27 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.41 130.47 39.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -118.06 -35.22 3.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.5 mt -86.6 158.85 19.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.576 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 3.0 tp10 -60.47 -59.56 5.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -46.41 -36.21 6.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -61.84 -34.09 75.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.576 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 23.3 m-85 -62.13 -35.65 79.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.957 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.76 HG13 HG11 ' A' ' 104' ' ' VAL . 4.6 mp -79.19 -38.6 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.143 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -44.56 -63.18 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 47' ' ' SER . 13.1 p30 -51.77 -33.83 36.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.481 ' CG ' HG22 ' A' ' 100' ' ' VAL . 9.4 m-85 -72.41 -36.75 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -52.77 -60.42 3.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.0 p -61.14 -30.73 48.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.53 -47.07 77.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -49.86 -33.21 16.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.48 -43.75 89.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.768 ' HB1' ' SG ' ' A' ' 62' ' ' CYS . . . -62.8 -11.62 19.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -91.36 -50.78 5.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -69.48 -35.12 75.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 92' ' ' MET . 0.0 OUTLIER -42.98 -43.78 4.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.851 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.8 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 9.0 ptp -97.07 -35.93 10.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 120.42 21.58 3.32 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.531 HG12 ' H ' ' A' ' 96' ' ' LYS . 77.9 t -46.68 118.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 111.157 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -83.09 35.74 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.554 ' HG2' ' CH2' ' A' ' 117' ' ' TRP . 30.7 tptt -128.72 109.11 11.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.5 mp -74.08 139.88 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 42.6 mt -98.7 102.7 15.64 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.575 0.703 . . . . 0.0 111.15 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 82.66 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.66 ' O ' HG22 ' A' ' 104' ' ' VAL . 95.6 t -72.85 -46.05 54.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -58.41 -24.83 61.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -99.34 -35.18 10.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 20.2 mt -68.51 -49.1 62.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.76 HG11 HG13 ' A' ' 79' ' ' ILE . 34.8 m -52.87 -24.24 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -65.68 -28.28 68.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.17 35.86 25.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -78.75 104.16 9.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.596 ' CE2' ' CZ ' ' A' ' 112' ' ' PHE . 3.2 t80 -40.83 -31.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -75.28 -70.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -48.7 -19.91 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -82.03 -46.69 13.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.596 ' CZ ' ' CE2' ' A' ' 108' ' ' PHE . 2.6 m-85 -48.97 -47.75 43.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -56.19 -49.52 73.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -56.6 -70.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.541 HD13 HD13 ' A' ' 45' ' ' LEU . 7.9 tp -51.3 -40.69 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.428 ' N ' HG23 ' A' ' 115' ' ' ILE . 7.6 tp-100 -51.27 -59.15 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.554 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 8.7 t90 -68.97 -34.09 74.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -55.17 -23.57 22.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.56 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 6.1 tmtm? -76.0 -60.49 2.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.12 -33.16 68.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.439 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 41.3 t80 -69.56 -22.69 63.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.526 ' CD1' HD21 ' A' ' 58' ' ' LEU . 1.3 t80 -76.58 -41.86 44.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -74.6 -28.84 61.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.9 -33.37 75.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -101.93 -49.31 3.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.432 ' CB ' ' O ' ' A' ' 122' ' ' PHE . 77.9 t80 -43.07 110.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.93 -58.54 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 154.4 41.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.446 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -102.85 159.17 15.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -85.05 135.65 33.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.482 ' CD2' ' HA ' ' A' ' 57' ' ' MET . 48.3 t80 -139.6 121.51 15.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.429 ' HA ' ' HD2' ' A' ' 133' ' ' PRO . 3.0 m120 -91.93 108.76 32.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.729 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 132' ' ' ASN . 53.8 Cg_endo -69.73 -31.14 21.25 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.347 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 136' ' ' ALA . 69.6 mt -70.31 -73.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.479 ' C ' ' O ' ' A' ' 134' ' ' LEU . 2.7 mt -31.74 -36.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 134' ' ' LEU . . . -41.23 -51.39 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -135.0 22.38 3.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.489 ' NE2' ' OD1' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -79.61 147.62 32.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -114.26 -58.18 0.38 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.83 133.36 47.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.317 . . . . 0.0 110.906 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.489 ' OD1' ' NE2' ' A' ' 138' ' ' GLN . 48.3 m-20 -87.49 -38.0 16.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 141' ' ' ASP . 96.2 t -36.29 -36.75 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -37.99 134.58 0.85 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 111.072 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 126.98 13.93 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 160.59 49.12 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.667 2.245 . . . . 0.0 112.346 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 160.73 48.62 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -171.56 133.39 0.85 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -161.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.661 2.241 . . . . 0.0 112.377 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 118.53 85.44 1.02 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -121.29 36.08 4.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.715 0.293 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -101.78 119.49 38.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 5.2 mp -134.42 135.94 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -86.1 -52.19 5.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 90.3 p -149.42 159.16 44.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -132.66 149.76 19.58 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -22.27 32.71 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.251 . . . . 0.0 112.387 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 5.1 m 54.92 42.47 31.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 93.7 p -144.92 173.98 11.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 p -90.57 106.37 18.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 0.0 110.847 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -99.09 140.18 33.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.56 143.74 3.52 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 t -129.05 96.25 4.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.915 0.388 . . . . 0.0 110.883 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.3 p -160.49 121.07 2.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.88 -48.2 0.96 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.2 mmt -93.3 177.26 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 0.0 110.939 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.23 122.15 44.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 11' ' ' ASN . 74.8 t -83.63 88.1 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 10' ' ' VAL . 1.3 m-80 -34.18 149.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.4 t -104.35 81.83 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.444 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 16.2 p90 -130.01 82.88 2.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.0 p -101.87 176.63 5.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.4 t -101.0 -23.82 14.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 96.3 p -52.58 154.7 2.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.524 HG22 ' OG ' ' A' ' 19' ' ' SER . 14.8 p -56.11 -34.74 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 17' ' ' VAL . 10.1 t 33.26 47.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.524 ' OG ' HG22 ' A' ' 17' ' ' VAL . 62.5 m -103.56 10.87 36.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -80.58 115.31 20.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -102.65 124.48 48.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 72.6 mt -72.82 171.71 12.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 24' ' ' ARG . 62.9 p -111.84 151.29 29.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 23' ' ' SER . 18.0 ptt-85 -35.77 -37.05 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -61.07 -63.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -61.0 -48.67 80.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.406 ' CB ' HD11 ' A' ' 42' ' ' ILE . 2.2 mmt -49.78 -43.48 48.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.442 HD11 ' HA ' ' A' ' 41' ' ' LYS . 19.7 mt -79.18 -36.94 39.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.2 -38.52 86.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.537 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 16.2 t90 -58.18 -43.48 87.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.458 HG12 HD23 ' A' ' 37' ' ' LEU . 23.5 t -79.34 -38.92 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -66.13 -7.72 19.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -115.32 -36.05 4.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.8 m -57.75 -65.58 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.622 HD13 ' HB3' ' A' ' 53' ' ' GLN . 4.2 mt -105.8 13.52 29.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 63.5 55.02 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.503 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.3 mm? -82.94 166.25 19.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.72 31.5 5.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -75.73 127.11 32.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.437 HG23 ' HE2' ' A' ' 41' ' ' LYS . 10.3 t -95.65 -7.41 37.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.106 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.442 ' HA ' HD11 ' A' ' 28' ' ' LEU . 35.9 mtmt -149.88 134.87 17.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.555 HG13 ' CE1' ' A' ' 112' ' ' PHE . 3.4 mm -46.31 -46.92 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -42.62 -41.38 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 46' ' ' CYS . 17.2 mm-40 -47.74 -49.38 28.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.471 HD13 HD13 ' A' ' 115' ' ' ILE . 30.5 mt -40.01 -27.96 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 47' ' ' SER . 32.0 p -42.41 -39.24 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.494 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 43.2 p -34.34 -49.03 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 106.34 -45.99 1.23 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.35 -52.76 1.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.803 0.335 . . . . 0.0 111.086 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.77 -62.11 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -47.5 -41.15 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.8 m -64.01 -55.73 20.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.622 ' HB3' HD13 ' A' ' 35' ' ' LEU . 6.8 tp60 -49.86 -25.83 3.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -73.86 -45.74 49.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.435 ' HB2' HG11 ' A' ' 63' ' ' VAL . 33.0 mmm -53.19 -34.03 55.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -63.93 -50.32 69.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.1 ttp -64.65 -52.51 56.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.775 HD21 ' CD2' ' A' ' 122' ' ' PHE . 75.0 mt -59.66 -60.22 4.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.494 ' CZ ' ' HE1' ' A' ' 92' ' ' MET . 6.8 m-85 -120.71 106.62 39.38 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.635 0.731 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.6 Cg_endo -69.74 142.47 48.11 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.742 2.295 . . . . 0.0 112.332 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.45 26.88 70.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.3 t -113.45 -32.81 6.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.435 HG11 ' HB2' ' A' ' 55' ' ' MET . 4.8 p -123.65 145.73 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.162 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.555 ' O ' HG23 ' A' ' 68' ' ' VAL . 5.2 t-80 -100.89 126.07 47.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mp -92.47 -32.38 14.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.549 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 9.2 mtt180 -58.87 -22.79 59.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.438 ' HG3' ' ND1' ' A' ' 64' ' ' HIS . 6.6 mttp -104.08 12.46 33.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 64' ' ' HIS . 24.5 t -102.23 133.98 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.451 ' HG2' ' CD2' ' A' ' 80' ' ' HIS . 38.0 mmtt -92.16 102.83 15.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -81.24 -38.44 26.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -91.78 27.31 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.1 119.07 4.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -115.85 -37.88 3.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.4 mt -84.36 175.81 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.507 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 21.9 tt0 -70.25 -56.33 7.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -53.67 -28.09 31.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.83 -26.69 62.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.507 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 23.1 m-85 -71.03 -25.43 62.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.573 HG13 HG11 ' A' ' 104' ' ' VAL . 5.0 mp -88.14 -44.26 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.451 ' CD2' ' HG2' ' A' ' 69' ' ' LYS . 57.8 t60 -37.14 -52.53 1.01 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 47' ' ' SER . 9.3 p30 -60.6 -36.11 77.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.506 ' CD2' HG13 ' A' ' 100' ' ' VAL . 15.9 m-85 -69.82 -54.13 15.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 82' ' ' PHE . 60.4 mttt -34.15 -61.0 0.38 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.8 p -61.85 -37.53 78.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 82' ' ' PHE . 51.5 tp -60.58 -39.33 87.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.473 ' HA ' HD12 ' A' ' 98' ' ' ILE . 9.5 mm-40 -57.91 -34.33 69.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.63 -38.63 87.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.61 -32.86 73.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -70.27 -48.56 56.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -68.77 -42.91 76.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -38.43 -55.93 1.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.494 ' HE1' ' CZ ' ' A' ' 59' ' ' PHE . 4.9 ptm -77.41 -47.92 18.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 125.4 44.77 0.26 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.423 HG23 ' CG ' ' A' ' 92' ' ' MET . 39.7 t -77.37 128.17 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.366 . . . . 0.0 111.121 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -87.72 37.63 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -126.86 122.78 35.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 93.8 mt -82.45 144.17 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.473 HD12 ' HA ' ' A' ' 86' ' ' GLN . 64.2 mt -103.01 97.63 9.98 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.649 0.738 . . . . 0.0 111.131 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 80.55 0.85 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.701 2.268 . . . . 0.0 112.32 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.506 HG13 ' CD2' ' A' ' 82' ' ' PHE . 58.7 t -69.94 -61.87 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 100' ' ' VAL . 0.9 OUTLIER -36.67 -30.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 100' ' ' VAL . 0.0 OUTLIER -94.83 -52.89 4.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.8 mt -48.97 -47.62 43.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.573 HG11 HG13 ' A' ' 79' ' ' ILE . 34.0 m -51.72 -28.01 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -58.55 -38.14 77.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.63 32.48 18.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 109' ' ' GLN . 29.4 mtmt -75.53 105.28 6.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.794 0.33 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.548 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 1.8 t80 -36.47 -29.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 107' ' ' LYS . 4.8 tp60 -78.53 -70.58 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -44.86 -21.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.633 ' O ' HG22 ' A' ' 115' ' ' ILE . 4.9 m-80 -84.03 -45.16 13.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.555 ' CE1' HG13 ' A' ' 42' ' ' ILE . 3.1 m-85 -50.19 -45.85 53.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -58.25 -51.38 69.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -57.37 -68.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.633 HG22 ' O ' ' A' ' 111' ' ' ASN . 6.3 tp -49.03 -40.23 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.169 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.47 ' CG ' ' O ' ' A' ' 112' ' ' PHE . 5.7 mm100 -53.38 -60.28 3.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.436 ' CE2' ' HB2' ' A' ' 121' ' ' PHE . 20.7 t90 -65.74 -32.27 73.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -56.81 -28.69 61.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.537 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 20.8 tptt -62.32 -68.97 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.426 ' CE ' ' HA ' ' A' ' 117' ' ' TRP . 21.8 pttt -58.01 -42.23 84.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.466 ' O ' ' ND2' ' A' ' 125' ' ' ASN . 35.5 t80 -54.7 -30.05 54.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.775 ' CD2' HD21 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -79.19 -28.54 42.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -77.53 -36.09 52.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.25 -23.68 65.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 121' ' ' PHE . 2.6 m-20 -105.51 -47.53 3.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.735 ' CD2' ' CZ ' ' A' ' 122' ' ' PHE . 31.9 t80 -51.23 135.63 25.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.92 -54.17 2.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 163.42 65.79 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.451 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.07 135.97 46.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -84.02 133.43 34.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.805 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -122.5 140.14 53.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.403 ' HA ' ' HD2' ' A' ' 133' ' ' PRO . 2.5 m-80 -102.61 98.68 11.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.721 . . . . 0.0 110.841 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 132' ' ' ASN . 54.6 Cg_endo -69.72 -27.81 26.22 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.671 2.247 . . . . 0.0 112.39 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 20.3 mt -71.34 -54.37 11.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 61.6 mt -51.73 -41.9 61.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -40.08 -37.48 0.61 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 138' ' ' GLN . 5.9 mmm180 -97.0 -45.77 6.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' A' ' 137' ' ' ARG . 42.5 mm-40 -33.13 143.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -177.28 -48.99 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.45 161.85 26.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 142' ' ' VAL . 1.0 OUTLIER -81.61 -40.23 23.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 141' ' ' ASP . 92.5 t -35.43 -48.36 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -39.9 141.86 0.73 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.62 0.724 . . . . 0.0 111.074 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 114.4 3.69 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.701 2.268 . . . . 0.0 112.319 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 158.48 56.72 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.648 2.232 . . . . 0.0 112.307 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 174.19 9.87 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.662 2.241 . . . . 0.0 112.38 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -132.91 125.52 19.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.739 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -7.51 21.22 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.342 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -71.09 -142.75 0.26 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -157.46 138.57 13.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.815 0.341 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -74.08 92.87 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -94.57 176.35 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -120.64 132.29 55.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.5 t -119.24 -58.53 1.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 69.97 -156.89 53.51 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 111.59 2.85 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.721 2.281 . . . . 0.0 112.354 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 158' ' ' SER . 57.9 p -61.09 174.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 157' ' ' SER . 28.1 m -37.25 -45.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 p -153.85 136.12 14.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 t -97.41 -46.72 5.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.37 159.56 9.5 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 6' ' ' SER . 93.3 p -94.65 39.69 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 5' ' ' SER . 11.3 m -36.52 -43.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.34 107.6 0.2 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.445 ' O ' ' CE1' ' A' ' 59' ' ' PHE . 24.0 mmt -115.19 174.34 6.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.731 0.301 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.806 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . -89.37 161.87 16.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 11' ' ' ASN . 67.4 t -128.69 85.66 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' VAL . 2.0 m-80 -35.64 135.2 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.594 HG11 ' HB2' ' A' ' 120' ' ' LYS . 1.0 OUTLIER -118.66 79.66 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.509 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 12.1 p90 -132.68 76.07 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.1 m -135.54 174.98 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.6 p -87.12 163.3 17.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.143 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 17' ' ' VAL . 89.6 p -174.11 135.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 16' ' ' SER . 10.6 p -34.18 140.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -34.66 115.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.0 m -128.4 113.38 15.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 21' ' ' ASN . 12.2 mt-10 -66.48 104.38 1.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -34.87 133.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.422 HD22 ' HB3' ' A' ' 26' ' ' ASP . 61.0 mt -45.03 164.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 25' ' ' HIS . 68.2 p -106.47 154.66 20.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.568 ' HA ' HD11 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -37.17 -28.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 23' ' ' SER . 13.4 t-160 -68.8 -64.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.422 ' HB3' HD22 ' A' ' 22' ' ' LEU . 1.9 m-20 -55.98 -56.85 15.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.603 ' HB2' HD11 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -42.72 -41.16 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.456 HD22 ' CB ' ' A' ' 39' ' ' TYR . 45.0 mt -79.61 -38.59 33.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.47 -37.06 79.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.047 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.539 ' CD2' ' HD2' ' A' ' 119' ' ' LYS . 17.7 t90 -62.22 -42.92 99.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.61 HG12 ' HB2' ' A' ' 37' ' ' LEU . 80.9 t -76.39 -42.04 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 2.0 m-80 -59.31 -14.08 10.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -106.84 -27.64 10.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.1 m -66.02 -60.19 3.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.531 HD13 ' HB3' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -123.55 42.07 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.514 ' CE1' ' HB2' ' A' ' 133' ' ' PRO . 23.3 p-80 41.17 54.97 3.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.61 ' HB2' HG12 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -84.54 148.81 26.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -112.5 39.56 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.534 ' CE2' ' HG ' ' A' ' 37' ' ' LEU . 20.9 m-85 -78.14 114.02 16.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 44.8 p -95.21 -4.64 45.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -149.58 131.19 14.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.603 HD11 ' HB2' ' A' ' 27' ' ' MET . 11.7 mm -47.52 -35.97 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -57.46 -36.27 71.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 46' ' ' CYS . 22.1 mt-30 -53.84 -46.78 71.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.2 mt -40.67 -25.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' GLN . 30.4 p -44.95 -36.82 3.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.465 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 38.9 m -34.42 -46.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 97.7 -42.83 2.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.528 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -36.24 -62.97 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.084 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.7 -60.88 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -45.66 -40.11 8.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.434 ' HB3' HG21 ' A' ' 68' ' ' VAL . 11.1 m -64.66 -59.17 4.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.606 ' HA ' HD11 ' A' ' 65' ' ' LEU . 46.0 tt0 -52.58 -23.5 6.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -71.7 -49.16 42.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 42.1 mmm -43.19 -42.56 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -64.69 -44.08 91.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.567 ' HA ' ' CE2' ' A' ' 131' ' ' TYR . 8.6 tpp -51.43 -47.96 62.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.523 HD22 ' HB2' ' A' ' 125' ' ' ASN . 19.7 mt -82.67 -61.84 1.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.445 ' CE1' ' O ' ' A' ' 8' ' ' MET . 1.8 m-85 -109.64 96.53 23.85 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.633 0.73 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.78 142.83 48.9 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.307 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.99 16.71 80.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.4 m -107.07 -34.99 6.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.4 p -116.55 145.92 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.452 ' O ' HG23 ' A' ' 68' ' ' VAL . 4.7 t-160 -100.14 98.96 9.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.606 HD11 ' HA ' ' A' ' 53' ' ' GLN . 2.1 mp -64.45 -39.69 94.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 5.5 mmm180 -47.12 -42.97 20.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -76.01 -26.56 56.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 64' ' ' HIS . 69.6 t -64.3 131.24 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.187 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.474 ' CD ' ' OE1' ' A' ' 77' ' ' GLU . 65.1 mttt -98.87 96.26 7.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -67.25 -37.96 84.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -86.99 43.86 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.63 130.47 35.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -131.85 -36.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.5 mt -78.66 166.82 22.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.496 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 14.0 tt0 -63.0 -62.49 1.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.556 ' CE1' ' HG2' ' A' ' 77' ' ' GLU . 10.1 p80 -45.74 -44.71 13.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.556 ' HG2' ' CE1' ' A' ' 76' ' ' HIS . 13.9 mm-40 -50.7 -36.42 35.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.496 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.5 m-85 -61.81 -41.72 98.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.1 mp -69.92 -55.0 16.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.459 ' CG ' ' HE3' ' A' ' 69' ' ' LYS . 13.5 t60 -37.53 -52.58 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.82 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.77 -44.23 97.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.467 ' CG ' HG22 ' A' ' 100' ' ' VAL . 10.3 m-85 -62.85 -33.35 75.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -54.38 -71.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.6 p -46.63 -39.02 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.4 tp -60.73 -40.27 91.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -51.69 -46.47 63.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.951 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.47 -40.04 64.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.46 -34.85 77.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.452 ' CG ' HD11 ' A' ' 98' ' ' ILE . 2.8 m-85 -68.36 -46.83 69.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 91' ' ' LYS . 37.0 mmtm -69.7 -42.04 74.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 90' ' ' LYS . 12.0 mtpp -34.65 -40.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.806 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 19.2 ptp -100.55 -43.21 6.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.64 21.51 1.77 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.807 HG12 ' H ' ' A' ' 96' ' ' LYS . 86.2 t -44.77 116.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 111.129 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.2 10.26 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.807 ' H ' HG12 ' A' ' 94' ' ' VAL . 13.1 tptm -104.39 98.13 7.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 47.1 mm -61.81 147.33 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.452 HD11 ' CG ' ' A' ' 89' ' ' PHE . 24.1 mt -103.34 100.16 17.27 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.562 0.696 . . . . 0.0 111.175 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 79.24 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.371 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.467 HG22 ' CG ' ' A' ' 82' ' ' PHE . 95.7 t -67.93 -58.83 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -39.45 -38.13 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -87.92 -44.83 10.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 103' ' ' LEU . 13.6 mt -54.92 -54.86 37.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.514 HG23 ' N ' ' A' ' 105' ' ' LYS . 34.1 m -45.0 -45.56 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.514 ' N ' HG23 ' A' ' 104' ' ' VAL . 10.4 mmmm -45.13 -33.93 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.71 39.95 10.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.514 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 109' ' ' GLN . 11.4 mmmt -77.47 106.02 8.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.588 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 1.8 t80 -40.16 -26.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.498 ' C ' ' CD ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -80.53 -72.22 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -48.34 -23.39 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.496 ' HB3' HG22 ' A' ' 42' ' ' ILE . 2.0 m-80 -80.86 -41.28 23.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.588 ' CD2' ' O ' ' A' ' 108' ' ' PHE . 2.3 m-85 -51.23 -56.73 11.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 114' ' ' PHE . 9.1 mt-10 -49.57 -65.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' GLU . 5.8 t80 -34.89 -70.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.431 HG23 ' N ' ' A' ' 116' ' ' GLN . 9.0 tp -54.13 -39.98 44.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.431 ' N ' HG23 ' A' ' 115' ' ' ILE . 10.9 tp60 -53.77 -37.17 63.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.565 ' CZ3' ' HG2' ' A' ' 96' ' ' LYS . 22.9 t90 -86.1 -50.44 7.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -42.73 -24.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.539 ' HD2' ' CD2' ' A' ' 30' ' ' TRP . 14.1 tptm -58.57 -69.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.594 ' HB2' HG11 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -59.92 -35.71 75.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.583 ' HE1' ' HB1' ' A' ' 9' ' ' ALA . 42.4 t80 -59.09 -18.96 40.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -89.05 -44.95 10.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -68.85 -37.69 79.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.26 -44.79 53.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.523 ' HB2' HD22 ' A' ' 58' ' ' LEU . 4.3 m-80 -92.1 -45.85 8.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -50.0 122.84 7.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -121.78 41.64 3.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 64.41 78.31 0.21 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.497 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -135.17 115.8 13.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.755 0.312 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -50.47 127.1 16.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.567 ' CE2' ' HA ' ' A' ' 57' ' ' MET . 27.5 t80 -135.37 120.05 18.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.964 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.458 ' CB ' HD12 ' A' ' 135' ' ' LEU . 3.7 m-80 -94.68 104.94 15.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.514 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.76 -51.26 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 6.9 mt -52.79 -59.66 4.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.458 HD12 ' CB ' ' A' ' 132' ' ' ASN . 62.7 mt -40.0 -41.31 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 133' ' ' PRO . . . -41.79 -54.11 3.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 25.1 ptt85 -116.89 50.06 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -103.32 151.57 22.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -116.97 -40.04 0.78 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.486 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -136.82 163.52 30.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.841 0.353 . . . . 0.0 110.894 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -102.74 -42.66 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 143' ' ' ALA . 72.7 t -40.83 -41.87 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 142' ' ' VAL . . . -34.36 135.75 0.37 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.56 0.695 . . . . 0.0 111.117 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' PRO . . . . . 0.403 ' HA ' ' HD2' ' A' ' 145' ' ' PRO . 53.2 Cg_endo -69.76 112.41 3.07 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.729 2.286 . . . . 0.0 112.303 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 144' ' ' PRO . 54.1 Cg_endo -69.74 166.24 28.25 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.683 2.256 . . . . 0.0 112.351 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 166.63 26.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.628 2.218 . . . . 0.0 112.325 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -119.01 130.47 24.82 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.612 0.72 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 2.78 3.2 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.7 2.267 . . . . 0.0 112.338 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -127.17 113.74 1.8 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -152.4 137.38 17.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.716 0.293 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 53.81 47.69 23.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.72 ' H ' HD12 ' A' ' 152' ' ' ILE . 5.4 mp -61.47 111.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.14 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -147.61 167.25 25.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 69.8 m -139.47 129.83 25.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -72.75 151.62 46.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -174.06 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 29.7 p -39.99 132.31 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 34.4 t -124.99 104.81 8.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.527 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p -112.83 -43.98 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 110.858 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.4 p -83.15 -44.85 14.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.36 73.6 0.66 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.535 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 p -109.08 152.14 25.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.917 0.389 . . . . 0.0 110.799 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 t -73.62 -48.2 34.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.68 125.35 1.03 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.9 mmt -117.04 160.86 20.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.338 . . . . 0.0 110.836 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.709 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . -82.97 142.88 31.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.6 HG23 ' OD1' ' A' ' 125' ' ' ASN . 68.2 t -109.18 85.14 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' VAL . 1.4 m-80 -35.09 126.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.556 HG21 ' HA ' ' A' ' 121' ' ' PHE . 21.7 t -97.76 82.48 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -130.27 74.15 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m -152.75 176.73 11.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.9 t -133.47 41.17 3.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.599 ' O ' HG23 ' A' ' 18' ' ' THR . 24.9 p -127.61 170.41 12.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.548 ' O ' HG22 ' A' ' 17' ' ' VAL . 7.6 p 41.07 30.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 16' ' ' SER . 17.8 p -103.94 95.74 6.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 20' ' ' GLU . 17.4 m -79.16 -179.87 6.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' SER . 9.2 mm-40 -35.42 113.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -71.14 125.8 27.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.844 HD22 ' HB3' ' A' ' 26' ' ' ASP . 18.0 mt -53.63 172.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 m -133.68 -74.94 0.48 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -132.14 -67.39 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -50.0 -62.15 1.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.844 ' HB3' HD22 ' A' ' 22' ' ' LEU . 4.0 m-20 -53.17 -43.32 66.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.599 ' HE2' ' HA ' ' A' ' 27' ' ' MET . 1.8 mmt -54.51 -40.38 68.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.3 mt -79.94 -39.38 30.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.25 -47.13 84.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.069 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.538 ' CE2' ' HD2' ' A' ' 119' ' ' LYS . 14.6 t90 -50.98 -45.79 61.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.5 t -74.61 -41.63 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -55.53 -20.55 13.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -103.72 -27.52 12.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.498 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 23.7 m -63.23 -58.0 8.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.562 ' O ' ' CG ' ' A' ' 36' ' ' HIS . 0.8 OUTLIER -124.44 37.01 4.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 35' ' ' LEU . 23.5 p-80 46.41 54.93 8.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.637 HD12 ' CE2' ' A' ' 39' ' ' TYR . 2.6 mm? -84.05 162.43 20.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -133.93 37.24 3.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.637 ' CE2' HD12 ' A' ' 37' ' ' LEU . 24.0 m-85 -79.8 117.25 20.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.405 ' O ' HG22 ' A' ' 40' ' ' THR . 60.9 m -83.59 -13.6 54.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -143.34 142.52 31.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.581 HG13 ' CE1' ' A' ' 112' ' ' PHE . 14.4 mm -54.27 -40.85 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -52.05 -28.0 15.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -63.3 -44.92 93.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.454 HD13 HD13 ' A' ' 115' ' ' ILE . 14.8 mt -41.94 -28.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 47' ' ' SER . 30.4 p -36.21 -36.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 46' ' ' CYS . 2.8 p -34.46 -41.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 87.85 -46.94 3.49 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -33.65 -55.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.8 -59.85 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -45.9 -40.48 10.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.925 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.405 ' O ' HG11 ' A' ' 63' ' ' VAL . 29.6 m -64.14 -54.33 35.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.549 ' HA ' HD11 ' A' ' 65' ' ' LEU . 25.9 tt0 -53.13 -32.14 45.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.498 ' CE1' ' HB3' ' A' ' 34' ' ' SER . 10.0 m-85 -63.62 -52.3 61.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 65.5 mmm -43.87 -43.3 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -62.15 -48.1 81.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.517 ' HA ' ' CD2' ' A' ' 131' ' ' TYR . 3.4 ttm -57.23 -63.04 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.426 ' CD2' ' HB2' ' A' ' 126' ' ' TYR . 51.6 mt -54.44 -63.56 1.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -113.33 115.87 46.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 138.28 37.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.342 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.1 22.16 70.46 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 31.4 t -95.81 -28.12 14.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.86 0.362 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.405 HG11 ' O ' ' A' ' 52' ' ' CYS . 3.9 p -131.66 162.95 38.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.511 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 3.6 t-160 -113.71 95.36 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.549 HD11 ' HA ' ' A' ' 53' ' ' GLN . 3.9 mp -62.48 -27.16 68.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.511 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 6.6 tpm_? -57.0 -39.26 74.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -83.26 -14.38 53.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.4 t -74.43 131.4 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.566 ' HE3' ' CD2' ' A' ' 80' ' ' HIS . 34.8 mttt -102.73 102.88 13.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.459 ' CD2' ' NE ' ' A' ' 137' ' ' ARG . 3.4 m-85 -75.46 -38.24 59.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -84.78 37.84 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.48 123.64 24.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -121.47 -36.88 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 77.9 mt -79.6 164.24 23.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.579 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.5 tt0 -63.92 -59.02 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.417 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 2.3 p80 -45.46 -40.37 8.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 12.4 mt-10 -57.36 -35.81 70.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.579 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.1 m-85 -61.4 -40.55 94.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.46 HG13 HG11 ' A' ' 104' ' ' VAL . 4.2 mp -70.17 -46.49 71.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.566 ' CD2' ' HE3' ' A' ' 69' ' ' LYS . 26.5 t60 -45.86 -63.17 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -44.25 -36.2 2.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.819 ' CD2' HG13 ' A' ' 100' ' ' VAL . 13.0 m-85 -75.49 -42.65 52.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -42.8 -57.84 2.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.85 -34.78 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.496 HD23 ' HD1' ' A' ' 82' ' ' PHE . 42.4 tp -62.47 -45.46 92.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.511 ' HA ' HD12 ' A' ' 98' ' ' ILE . 6.7 mm-40 -50.92 -37.22 42.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.87 90.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.18 -15.79 11.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -87.86 -53.81 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -67.93 -33.07 73.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 92' ' ' MET . 0.0 OUTLIER -44.84 -37.43 3.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.709 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 8.8 ptp -102.34 -40.17 6.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.43 22.37 1.2 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.564 HG23 ' HG3' ' A' ' 92' ' ' MET . 27.6 t -60.85 110.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.18 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -83.02 35.49 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.571 ' HE2' ' CE3' ' A' ' 117' ' ' TRP . 2.1 tmtm? -112.33 85.46 2.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 86.2 mt -48.47 136.34 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 86' ' ' GLN . 68.6 mt -103.66 99.41 15.62 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.637 0.732 . . . . 0.0 111.12 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 79.94 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.336 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.819 HG13 ' CD2' ' A' ' 82' ' ' PHE . 41.5 t -69.93 -63.18 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -38.81 -26.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 100' ' ' VAL . 18.4 mttt -96.89 -47.82 5.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 103' ' ' LEU . 21.0 mt -55.58 -46.96 77.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.46 HG11 HG13 ' A' ' 79' ' ' ILE . 25.3 m -55.83 -34.25 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -45.93 -35.51 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 88.15 33.12 11.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -77.31 176.95 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.347 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.594 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 2.5 t80 -106.78 -36.32 6.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.425 ' C ' ' N ' ' A' ' 111' ' ' ASN . 3.7 tp60 -74.7 -70.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -43.43 -22.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.566 ' O ' HG22 ' A' ' 115' ' ' ILE . 2.3 m-80 -84.07 -48.08 10.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.594 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 2.5 m-85 -46.99 -49.69 20.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -56.01 -48.15 76.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.469 ' CE1' ' HE3' ' A' ' 96' ' ' LYS . 8.9 t80 -60.95 -71.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.82 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.566 HG22 ' O ' ' A' ' 111' ' ' ASN . 6.7 tp -49.05 -42.76 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.499 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 1.3 tp60 -52.37 -57.48 9.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.571 ' CE3' ' HE2' ' A' ' 96' ' ' LYS . 16.7 t90 -65.74 -32.35 73.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.401 ' HE2' ' CD2' ' A' ' 54' ' ' PHE . 2.7 t80 -55.74 -33.58 64.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.839 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.538 ' HD2' ' CE2' ' A' ' 30' ' ' TRP . 24.0 tptp -61.13 -71.03 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.412 ' HG3' HG11 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -50.19 -39.17 43.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.822 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.556 ' HA ' HG21 ' A' ' 12' ' ' VAL . 50.0 t80 -64.29 -29.85 70.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.523 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -72.56 -41.21 66.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -74.16 -35.4 64.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.41 -36.22 31.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.6 ' OD1' HG23 ' A' ' 10' ' ' VAL . 32.4 m-80 -103.92 -46.55 4.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.426 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 62.6 t80 -52.56 101.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -95.02 40.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 65.41 47.96 73.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.518 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.407 ' NZ ' ' O ' ' A' ' 57' ' ' MET . 12.2 ptmm? -101.19 108.24 19.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -50.35 122.39 6.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.517 ' CD2' ' HA ' ' A' ' 57' ' ' MET . 7.7 t80 -136.54 118.19 14.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -84.18 113.92 51.29 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.654 0.74 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.476 ' O ' ' HB3' ' A' ' 136' ' ' ALA . 54.0 Cg_endo -69.77 -50.87 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.663 2.242 . . . . 0.0 112.363 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 135' ' ' LEU . 6.7 mt -53.8 -64.76 0.72 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.647 HD23 ' H ' ' A' ' 135' ' ' LEU . 0.2 OUTLIER -33.2 -37.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 133' ' ' PRO . . . -44.56 -54.18 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.459 ' NE ' ' CD2' ' A' ' 70' ' ' PHE . 46.2 ptt85 -134.98 44.67 2.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.401 ' HB3' ' C ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -107.83 168.08 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -143.16 -38.96 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.473 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -138.09 148.06 44.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.781 0.324 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 142' ' ' VAL . 0.8 OUTLIER -86.5 -40.54 15.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 143' ' ' ALA . 89.4 t -36.57 -39.36 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 142' ' ' VAL . . . -34.22 148.12 0.1 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.578 0.704 . . . . 0.0 111.101 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 134.06 26.94 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.639 2.226 . . . . 0.0 112.346 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 168.85 20.28 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.713 2.275 . . . . 0.0 112.336 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.99 46.71 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.714 2.276 . . . . 0.0 112.356 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -157.81 153.35 22.39 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.686 0.755 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -161.63 0.08 OUTLIER 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.69 2.26 . . . . 0.0 112.361 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 168.37 -98.79 0.14 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -52.92 151.74 4.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.742 0.306 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -160.86 163.83 31.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 10.5 tt -64.49 123.13 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.412 ' CG ' ' N ' ' A' ' 154' ' ' SER . 38.5 t80 -172.1 169.49 5.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.412 ' N ' ' CG ' ' A' ' 153' ' ' PHE . 28.7 t -62.17 135.46 57.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.864 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -136.67 91.6 0.22 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 114.38 3.68 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.239 . . . . 0.0 112.393 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 15.6 m -102.01 94.97 6.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 25.2 p -95.18 82.97 3.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.809 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.469 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.847 0.356 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.49 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 99.4 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.065 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -40.32 -60.37 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -48.31 -70.89 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 27' ' ' MET . 2.8 m-20 -47.08 -64.55 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.454 ' C ' ' O ' ' A' ' 26' ' ' ASP . 1.2 mmt -33.39 -41.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.3 mt -79.79 -46.63 16.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -53.02 -37.47 61.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.074 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.563 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 19.2 t90 -56.97 -51.03 70.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.562 HG13 ' CE2' ' A' ' 54' ' ' PHE . 18.9 t -71.99 -42.78 68.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -56.79 -17.08 7.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -110.07 -18.71 13.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.9 m -70.84 -65.63 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.715 HD22 ' HG2' ' A' ' 53' ' ' GLN . 0.4 OUTLIER -110.8 20.09 17.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 63.77 54.14 1.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.9 mm? -87.85 164.93 15.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -131.08 31.91 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.48 ' CD1' ' HB3' ' A' ' 44' ' ' GLN . 23.0 m-85 -71.59 129.23 38.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 62.1 p -101.89 -0.56 33.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.147 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -149.82 134.99 18.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.539 HG13 ' CE1' ' A' ' 112' ' ' PHE . 7.1 mm -54.25 -28.12 17.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -25.9 65.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.48 ' HB3' ' CD1' ' A' ' 39' ' ' TYR . 13.8 mm100 -58.77 -37.25 75.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.417 HD13 HD13 ' A' ' 115' ' ' ILE . 18.0 mt -54.84 -16.1 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.2 p -48.94 -37.07 18.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 t -45.95 -36.73 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 88.55 -40.88 3.05 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -34.89 -36.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.7 -53.98 33.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -55.46 -34.17 64.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.931 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.406 ' HA ' HD13 ' A' ' 85' ' ' LEU . 2.7 m -67.99 -41.96 81.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.715 ' HG2' HD22 ' A' ' 35' ' ' LEU . 37.4 tt0 -67.01 -22.8 65.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.708 ' CD2' HD11 ' A' ' 35' ' ' LEU . 12.3 m-85 -74.14 -47.51 35.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.412 ' HG3' ' CD1' ' A' ' 85' ' ' LEU . 74.5 mmm -49.02 -46.36 43.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.35 -39.41 87.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.571 ' HA ' ' CD2' ' A' ' 131' ' ' TYR . 2.7 ttm -63.0 -58.2 8.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.809 HD21 ' CD1' ' A' ' 122' ' ' PHE . 26.9 mt -66.56 -63.61 1.03 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.429 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 5.3 m-85 -111.22 95.78 27.35 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.8 Cg_endo -69.79 143.49 50.89 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.95 1.05 87.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 11.7 m -95.82 -30.61 13.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.2 p -121.9 149.58 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.451 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 5.0 t-160 -109.17 107.27 17.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.66 -15.38 62.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.451 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -69.31 -39.08 78.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -82.09 -3.74 55.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.2 t -88.69 149.58 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -114.53 95.8 5.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -74.72 -16.06 60.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -102.15 14.94 30.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.57 131.57 25.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.8 pttm -125.85 -31.56 2.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.2 mt -91.1 177.69 6.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.547 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 26.9 tt0 -76.95 -47.3 21.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -55.57 -33.11 63.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.48 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 25.6 mt-10 -66.36 -23.09 66.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.547 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 15.4 m-30 -73.62 -36.94 65.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.613 HG13 HG11 ' A' ' 104' ' ' VAL . 3.4 mp -68.44 -48.95 70.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -47.51 -54.92 10.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 77' ' ' GLU . 3.6 m-20 -53.71 -41.08 66.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.507 ' CD2' HG13 ' A' ' 100' ' ' VAL . 12.6 m-85 -66.02 -38.54 88.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.9 mttt -49.79 -65.98 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.4 p -53.22 -36.37 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.093 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.412 ' CD1' ' HG3' ' A' ' 55' ' ' MET . 25.3 tp -64.07 -43.71 94.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -53.69 -33.7 56.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.69 93.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.43 -28.28 66.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -70.83 -56.53 6.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -67.42 -32.76 73.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -48.1 -48.8 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.476 ' CG ' HG23 ' A' ' 94' ' ' VAL . 3.0 ptm -87.7 -45.98 9.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.61 38.21 0.37 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.71 HG12 ' H ' ' A' ' 96' ' ' LYS . 44.7 t -73.33 122.8 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 111.127 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -89.46 25.31 1.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.71 ' H ' HG12 ' A' ' 94' ' ' VAL . 2.8 tmtm? -108.32 89.13 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 27.0 mm -50.0 141.63 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 54.2 mt -105.31 97.71 14.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.741 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 82.7 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.685 2.257 . . . . 0.0 112.379 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.567 ' O ' HG22 ' A' ' 104' ' ' VAL . 62.8 t -72.16 -57.68 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.17 -27.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 100' ' ' VAL . 10.7 mttp -99.01 -53.86 3.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 103' ' ' LEU . 18.0 mt -46.99 -47.65 21.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.613 HG11 HG13 ' A' ' 79' ' ' ILE . 35.7 m -52.81 -46.65 51.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.532 ' N ' HG23 ' A' ' 104' ' ' VAL . 41.7 mmtt -34.03 -40.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.13 25.44 19.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.417 ' HE2' ' N ' ' A' ' 107' ' ' LYS . 6.9 mmpt? -67.99 168.52 11.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.553 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 4.0 t80 -103.56 -15.1 15.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.468 ' C ' ' CD ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -89.91 -71.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -45.38 -21.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -81.1 -51.26 8.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.553 ' CD2' ' O ' ' A' ' 108' ' ' PHE . 3.4 m-85 -43.61 -50.17 7.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -56.1 -61.71 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -43.84 -70.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.567 HG23 ' N ' ' A' ' 116' ' ' GLN . 7.7 tp -50.78 -47.56 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.567 ' N ' HG23 ' A' ' 115' ' ' ILE . 1.2 mm-40 -44.19 -47.94 9.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.477 ' CH2' ' HG3' ' A' ' 96' ' ' LYS . 5.0 t90 -82.66 -19.37 38.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -65.63 -23.44 66.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.563 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 6.2 tmtm? -73.25 -65.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -56.19 -30.25 62.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -70.79 -20.93 62.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.809 ' CD1' HD21 ' A' ' 58' ' ' LEU . 1.3 t80 -86.79 -30.41 21.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -76.88 -27.92 55.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.69 -15.38 63.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.632 ' HB2' HD22 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -116.35 -39.45 3.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.448 ' CD2' ' CE1' ' A' ' 122' ' ' PHE . 45.5 t80 -65.83 114.3 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -93.21 -39.34 11.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.414 ' HA2' ' CE1' ' A' ' 126' ' ' TYR . . . 147.65 52.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.17 150.78 30.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -86.98 131.71 34.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.571 ' CD2' ' HA ' ' A' ' 57' ' ' MET . 59.2 t80 -130.72 123.45 29.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.637 0.732 . . . . 0.0 110.878 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.635 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.863 0.363 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.436 HG23 ' OD1' ' A' ' 125' ' ' ASN . 60.4 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 24' ' ' ARG . 88.4 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.878 0.371 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 23' ' ' SER . 22.3 ptt-85 -36.04 -45.69 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -54.35 -64.81 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -56.72 -54.0 51.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.663 ' SD ' HG23 ' A' ' 115' ' ' ILE . 3.7 mmt -44.48 -44.94 8.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.46 HD11 ' CA ' ' A' ' 41' ' ' LYS . 28.4 mt -77.76 -35.45 51.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.55 -43.43 97.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.464 ' CD2' ' HG2' ' A' ' 119' ' ' LYS . 26.9 t90 -56.2 -47.21 78.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.458 HG12 ' HB2' ' A' ' 37' ' ' LEU . 85.8 t -71.49 -48.02 55.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -55.7 -19.22 10.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -106.2 -34.28 7.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 m -54.62 -68.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.829 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.5 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 3.4 mt -108.93 21.34 17.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 59.84 54.87 4.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.5 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.6 mm? -84.49 170.31 13.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -133.42 40.69 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.401 ' HE2' ' HB2' ' A' ' 50' ' ' ALA . 29.0 m-85 -85.48 112.38 20.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.0 m -79.24 -16.88 55.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.187 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.46 ' CA ' HD11 ' A' ' 28' ' ' LEU . 34.1 mttm -139.53 147.07 40.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.519 HG13 ' CE1' ' A' ' 112' ' ' PHE . 8.4 mm -58.77 -44.58 90.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -48.76 -35.57 14.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -51.59 -49.27 62.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 46' ' ' CYS . 15.4 mt -40.44 -30.09 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 45' ' ' LEU . 30.2 p -34.51 -40.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 46' ' ' CYS . 6.8 t -34.34 -48.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 104.62 -48.6 0.97 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -34.78 -54.91 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.401 ' HB2' ' HE2' ' A' ' 39' ' ' TYR . . . -42.62 -55.95 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -55.52 -42.28 74.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.948 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 14.4 m -61.99 -53.68 52.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.412 ' HB3' HD13 ' A' ' 35' ' ' LEU . 49.8 tt0 -51.58 -27.25 10.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -72.81 -42.99 63.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 52.9 mmm -53.17 -41.27 65.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.48 -46.36 86.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.6 ttm -59.65 -57.71 11.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.648 HD21 ' CD1' ' A' ' 122' ' ' PHE . 39.7 mt -59.69 -66.56 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.44 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 2.3 m-85 -109.51 107.21 59.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.681 0.753 . . . . 0.0 110.879 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.3 Cg_endo -69.8 141.88 46.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.75 28.01 73.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.471 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.9 p -108.58 -34.7 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.361 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.0 p -121.45 158.44 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.429 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 4.1 t-160 -111.66 98.01 7.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.9 -35.16 80.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.429 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -49.64 -38.7 33.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.404 ' O ' ' NE2' ' A' ' 80' ' ' HIS . 11.4 mtpt -82.32 -21.17 36.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 64' ' ' HIS . 81.3 t -71.58 133.19 32.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.477 ' HE2' ' CG ' ' A' ' 80' ' ' HIS . 27.7 mtmt -101.78 104.95 15.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -74.48 -41.12 61.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -82.76 40.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.02 119.59 19.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.135 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -115.25 -39.17 3.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.6 mt -78.26 164.57 24.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.514 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 2.6 tp10 -63.5 -60.53 3.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.504 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.0 p80 -45.38 -46.4 13.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.504 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 28.7 mt-10 -48.17 -43.83 31.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.514 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 21.9 m-85 -55.35 -46.75 76.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.954 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' PHE . 3.2 mp -60.24 -53.64 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.477 ' CG ' ' HE2' ' A' ' 69' ' ' LYS . 36.4 t60 -39.39 -51.32 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 81' ' ' ASN . 0.3 OUTLIER -59.87 -35.93 75.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 79' ' ' ILE . 18.9 m-85 -73.91 -33.77 64.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -55.48 -59.66 4.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.1 p -60.36 -29.2 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.5 tp -67.42 -46.6 72.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.465 ' NE2' ' HB ' ' A' ' 98' ' ' ILE . 10.3 mm-40 -48.98 -38.31 22.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.95 -37.62 77.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.085 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.99 -34.94 79.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -67.58 -51.99 43.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 91' ' ' LYS . 8.2 mmmm -64.87 -44.49 89.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 90' ' ' LYS . 40.4 mttm -33.75 -44.46 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.635 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 14.2 ptp -98.26 -45.23 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.38 30.45 0.78 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.588 HG12 ' H ' ' A' ' 96' ' ' LYS . 72.5 t -57.73 116.66 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 111.165 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -82.71 38.59 0.58 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.588 ' H ' HG12 ' A' ' 94' ' ' VAL . 21.9 tptt -126.19 99.03 5.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.0 mm -60.78 141.42 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.153 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.465 ' HB ' ' NE2' ' A' ' 86' ' ' GLN . 69.0 mt -102.79 99.11 12.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.607 0.718 . . . . 0.0 111.123 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 83.2 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.752 2.301 . . . . 0.0 112.312 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.803 ' O ' HG22 ' A' ' 104' ' ' VAL . 87.4 t -73.83 -58.28 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.088 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -41.95 -24.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 100' ' ' VAL . 14.6 mttt -102.17 -47.42 4.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 103' ' ' LEU . 14.2 mt -55.17 -48.93 73.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.962 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.803 HG22 ' O ' ' A' ' 100' ' ' VAL . 22.1 m -54.03 -27.51 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -65.54 -27.63 68.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.88 35.06 20.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 108' ' ' PHE . 34.4 mttm -71.56 97.19 1.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.826 0.346 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.596 ' CE2' ' CZ ' ' A' ' 112' ' ' PHE . 5.0 t80 -34.59 -37.47 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.469 ' HA ' ' NE2' ' A' ' 109' ' ' GLN . 4.7 tp60 -74.58 -71.0 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -45.41 -21.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.426 ' O ' HG22 ' A' ' 115' ' ' ILE . 2.4 m-80 -83.4 -41.7 17.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.596 ' CZ ' ' CE2' ' A' ' 108' ' ' PHE . 2.5 m-85 -52.11 -55.28 21.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -52.19 -42.7 63.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -63.04 -70.66 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.663 HG23 ' SD ' ' A' ' 27' ' ' MET . 7.9 tp -53.66 -27.77 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -64.52 -53.32 49.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.562 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 3.8 t90 -71.94 -31.75 66.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -56.65 -35.77 68.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.464 ' HG2' ' CD2' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -62.53 -60.27 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.47 -42.42 91.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -64.3 -24.37 67.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.648 ' CD1' HD21 ' A' ' 58' ' ' LEU . 1.6 t80 -73.92 -40.72 62.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.03 -33.57 63.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.48 -30.47 62.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.072 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.436 ' OD1' HG23 ' A' ' 10' ' ' VAL . 3.3 m-80 -105.77 -47.41 3.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -43.37 115.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 128' ' ' GLY . 10.5 t70 -114.43 77.28 1.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 127' ' ' ASP . . . 34.51 73.02 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.459 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -137.5 136.95 38.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -89.9 158.75 17.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -152.05 150.88 30.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 5.1 m120 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.76 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.821 0.343 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.595 HG23 ' OD1' ' A' ' 125' ' ' ASN . 60.6 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 24' ' ' ARG . 27.5 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.856 0.36 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 23' ' ' SER . 15.4 ptt-85 -34.58 -37.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 23' ' ' SER . 41.7 t-80 -64.38 -72.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -51.64 -48.03 63.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.411 ' HB2' HD11 ' A' ' 42' ' ' ILE . 1.8 mmt -48.67 -47.49 40.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 mt -72.35 -51.14 21.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.21 -44.21 32.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.569 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 16.3 t90 -52.62 -40.71 63.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 37' ' ' LEU . 58.9 t -80.55 -46.26 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.167 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -57.67 -12.1 2.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -111.61 -33.37 6.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 m -58.07 -66.24 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.653 HD13 ' HB3' ' A' ' 53' ' ' GLN . 6.2 mt -108.84 17.38 21.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 64.06 54.93 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.491 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.6 mm? -86.08 165.79 16.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -130.9 31.86 4.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -72.1 125.83 28.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.431 ' C ' ' HG3' ' A' ' 41' ' ' LYS . 6.3 m -92.5 -5.52 51.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.431 ' HG3' ' C ' ' A' ' 40' ' ' THR . 27.3 mtmt -151.68 143.12 23.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.57 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 6.1 mm -58.5 -33.56 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.52 -26.45 65.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -60.94 -37.09 81.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.482 HD13 HD13 ' A' ' 115' ' ' ILE . 19.5 mt -53.14 -20.57 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 23.6 p -46.34 -34.97 4.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.1 m -45.19 -39.13 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 92.17 -38.23 3.23 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -35.48 -51.72 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 111.11 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.33 -58.0 9.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -46.89 -34.92 5.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.526 ' HB3' HG21 ' A' ' 68' ' ' VAL . 37.8 m -69.2 -54.48 14.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.653 ' HB3' HD13 ' A' ' 35' ' ' LEU . 20.2 tt0 -55.11 -22.99 18.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -71.42 -43.34 66.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.1 mmm -58.84 -31.78 68.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -63.5 -45.75 89.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.6 ttp -67.78 -54.66 17.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.4 mt -61.47 -65.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.413 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 2.3 m-85 -114.23 98.46 48.54 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.639 0.733 . . . . 0.0 110.867 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.6 Cg_endo -69.73 144.27 53.61 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.355 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.1 15.37 71.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -107.3 -34.21 7.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.356 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.1 p -116.61 149.27 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.554 ' O ' HG23 ' A' ' 68' ' ' VAL . 3.1 t-160 -108.67 107.89 18.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mp -76.37 -32.97 58.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -49.15 -41.48 36.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -80.16 -20.74 44.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 64' ' ' HIS . 69.9 t -70.23 135.98 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.9 mttm -103.17 100.57 10.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -71.67 -35.62 70.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -89.53 33.51 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.448 ' HB1' ' HB3' ' A' ' 77' ' ' GLU . . . -68.97 121.31 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.053 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 73' ' ' LYS . 2.1 tmmm? -122.45 -19.55 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.6 mt -94.46 162.02 13.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.569 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 56.9 tt0 -61.54 -60.51 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.428 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.6 p80 -47.03 -40.72 15.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.448 ' HB3' ' HB1' ' A' ' 72' ' ' ALA . 25.6 mt-10 -56.36 -35.93 68.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 20.7 m-85 -62.52 -38.13 88.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.455 HG13 HG11 ' A' ' 104' ' ' VAL . 3.8 mp -71.8 -48.41 51.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -44.84 -54.28 6.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -56.72 -30.1 63.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.479 ' CD2' HG13 ' A' ' 100' ' ' VAL . 10.3 m-85 -77.75 -35.85 51.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -52.28 -62.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.7 p -57.88 -38.92 68.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.093 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 30.3 tp -59.1 -45.67 90.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.466 ' NE2' ' HB ' ' A' ' 98' ' ' ILE . 7.5 mm-40 -51.48 -44.23 62.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.61 -40.64 69.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.32 -35.49 75.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.45 ' CZ ' HD11 ' A' ' 98' ' ' ILE . 3.2 m-85 -64.22 -51.34 64.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -66.52 -41.53 88.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 90' ' ' LYS . 25.9 mttp -34.35 -36.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.76 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 12.6 ptp -107.28 -42.12 4.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 124.08 39.71 0.48 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.54 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.692 HG12 ' H ' ' A' ' 96' ' ' LYS . 41.2 t -64.78 118.42 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 111.121 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -83.36 37.57 0.57 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.692 ' H ' HG12 ' A' ' 94' ' ' VAL . 13.1 tptm -129.14 105.95 8.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 80.8 mt -66.37 140.24 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.466 ' HB ' ' NE2' ' A' ' 86' ' ' GLN . 62.4 mt -99.69 100.52 11.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 111.133 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 83.6 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.362 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.639 ' O ' HG22 ' A' ' 104' ' ' VAL . 91.0 t -75.07 -52.22 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -48.31 -23.52 0.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -102.48 -47.27 4.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 15.4 mt -53.48 -47.29 69.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 100' ' ' VAL . 26.9 m -53.3 -35.3 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -52.92 -34.15 53.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.31 3.77 64.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.515 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -45.68 106.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.329 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.587 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 2.4 t80 -44.74 -38.7 4.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.412 ' C ' ' N ' ' A' ' 111' ' ' ASN . 21.7 tp60 -67.41 -71.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.74 -21.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.437 ' O ' HG22 ' A' ' 115' ' ' ILE . 3.8 m-80 -81.35 -42.15 20.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.587 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 3.7 m-85 -56.34 -46.38 79.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -56.58 -48.4 77.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -59.49 -70.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.558 HG23 ' N ' ' A' ' 116' ' ' GLN . 9.5 tp -49.89 -46.78 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.558 ' N ' HG23 ' A' ' 115' ' ' ILE . 18.1 tp60 -48.86 -51.0 32.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.539 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 10.5 t90 -77.83 -20.6 52.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -66.95 -25.95 66.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.569 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 24.3 tptt -71.0 -60.96 1.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -57.32 -46.18 83.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.517 ' HE1' ' HB1' ' A' ' 9' ' ' ALA . 25.8 t80 -59.38 -19.82 49.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.73 ' CZ ' ' CD2' ' A' ' 126' ' ' TYR . 0.3 OUTLIER -86.34 -30.43 22.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -77.52 -34.52 53.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -52.96 -30.1 32.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.595 ' OD1' HG23 ' A' ' 10' ' ' VAL . 4.6 m-80 -108.53 -44.59 4.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.73 ' CD2' ' CZ ' ' A' ' 122' ' ' PHE . 39.3 t80 -56.97 129.95 43.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -115.17 -41.24 3.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 155.88 58.47 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.19 107.6 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.35 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.87 132.72 54.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -124.54 135.36 53.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.403 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.874 0.368 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.424 HG23 ' OD1' ' A' ' 125' ' ' ASN . 50.3 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 26' ' ' ASP . 66.4 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.895 0.378 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 23' ' ' SER . 5.3 ptt180 -34.89 -35.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 23' ' ' SER . 52.3 t-80 -65.01 -52.29 56.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 23' ' ' SER . 14.6 m-20 -68.9 -48.19 63.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.71 ' SD ' HG23 ' A' ' 115' ' ' ILE . 4.1 mmt -52.78 -46.09 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.578 HD11 ' CA ' ' A' ' 41' ' ' LYS . 26.9 mt -76.68 -50.88 12.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.67 -36.1 15.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.574 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 11.4 t90 -62.32 -44.56 96.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.507 HG12 ' HB2' ' A' ' 37' ' ' LEU . 98.3 t -74.14 -44.04 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -50.54 -25.35 4.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.8 -36.53 9.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.7 m -47.56 -75.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.594 HD22 ' HG2' ' A' ' 53' ' ' GLN . 2.3 mt -106.16 21.77 16.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 62.94 54.96 2.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.507 ' HB2' HG12 ' A' ' 31' ' ' VAL . 3.2 mm? -87.72 161.83 17.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -129.45 41.92 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -81.66 131.93 35.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.54 HG22 HE21 ' A' ' 44' ' ' GLN . 15.1 t -95.35 -9.31 33.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.105 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.578 ' CA ' HD11 ' A' ' 28' ' ' LEU . 22.9 mtmt -150.2 147.31 27.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.569 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 6.2 mm -55.81 -48.52 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 9.4 pt-20 -43.2 -35.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.54 HE21 HG22 ' A' ' 40' ' ' THR . 14.7 mm-40 -52.31 -42.64 63.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.561 HD13 HD13 ' A' ' 115' ' ' ILE . 22.1 mt -49.99 -32.79 16.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' SER . 14.3 p -40.42 -33.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' CYS . 2.8 p -36.0 -44.53 0.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 103.81 -48.58 1.0 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.504 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 50' ' ' ALA . . . -36.9 -65.21 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.762 0.315 . . . . 0.0 111.08 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 49' ' ' ALA . . . -35.73 -66.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.067 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -42.49 -39.32 2.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 49' ' ' ALA . 7.7 m -66.97 -51.0 60.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.877 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.594 ' HG2' HD22 ' A' ' 35' ' ' LEU . 56.4 tt0 -57.67 -23.29 50.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -71.93 -42.27 66.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 27.8 mmm -58.45 -39.69 80.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -61.53 -36.91 81.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.0 ttm -69.34 -56.52 7.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' ' 125' ' ' ASN . 39.5 mt -66.67 -58.97 4.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -111.93 96.92 35.96 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.641 0.734 . . . . 0.0 110.95 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 144.62 54.71 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.706 2.27 . . . . 0.0 112.312 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.55 26.57 68.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.445 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.9 t -112.99 -35.41 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.6 p -116.48 150.78 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.642 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 2.0 t60 -101.85 117.37 34.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.59 -31.73 18.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.587 ' HB2' ' CD2' ' A' ' 64' ' ' HIS . 13.2 mmm180 -56.54 -18.82 12.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.642 ' HG3' ' CD2' ' A' ' 64' ' ' HIS . 15.1 mttt -100.93 -9.26 21.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 55.9 t -83.41 144.2 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.561 ' HZ3' ' HG2' ' A' ' 77' ' ' GLU . 13.3 mttp -106.64 103.33 12.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -76.34 -30.51 57.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -95.63 33.57 1.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.44 132.66 48.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -129.24 -30.63 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.5 mt -83.19 166.31 18.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.581 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 14.6 tt0 -70.49 -57.52 4.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -48.47 -38.51 20.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.813 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.561 ' HG2' ' HZ3' ' A' ' 69' ' ' LYS . 27.4 mt-10 -57.58 -32.51 67.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.581 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 15.9 m-30 -62.28 -42.37 99.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.724 HG13 HG11 ' A' ' 104' ' ' VAL . 4.2 mp -67.35 -46.32 83.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -46.58 -59.01 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.91 -32.6 61.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.734 ' CD2' HG13 ' A' ' 100' ' ' VAL . 6.0 m-85 -71.77 -41.39 68.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -52.54 -71.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.5 p -44.97 -37.52 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.3 tp -66.7 -37.85 85.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -55.18 -41.26 71.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.44 -39.93 70.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.93 -36.1 74.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.49 ' CE1' HD11 ' A' ' 98' ' ' ILE . 3.3 m-85 -62.49 -54.11 44.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' MET . 62.2 mmtt -66.2 -39.24 89.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 90' ' ' LYS . 3.1 mtpm? -34.15 -35.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' LYS . 12.6 ptp -108.16 -47.16 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.845 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 135.52 29.62 0.37 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.765 HG12 ' H ' ' A' ' 96' ' ' LYS . 97.7 t -62.52 115.5 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.338 . . . . 0.0 111.161 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -84.69 26.29 0.83 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.765 ' H ' HG12 ' A' ' 94' ' ' VAL . 2.5 tmtm? -111.41 92.82 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.3 mm -60.28 129.52 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.49 HD11 ' CE1' ' A' ' 89' ' ' PHE . 52.4 mt -86.34 109.68 25.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 111.148 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 98' ' ' ILE . 54.0 Cg_endo -69.76 81.11 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.331 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.734 HG13 ' CD2' ' A' ' 82' ' ' PHE . 42.9 t -74.86 -62.6 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -40.36 -25.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 100' ' ' VAL . 16.2 mttm -99.18 -51.02 3.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 103' ' ' LEU . 12.2 mt -51.53 -50.55 59.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.724 HG11 HG13 ' A' ' 79' ' ' ILE . 22.6 m -51.66 -35.27 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -50.47 -43.3 55.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 107' ' ' LYS . . . 106.88 -14.26 41.25 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.492 ' N ' ' HD2' ' A' ' 107' ' ' LYS . 5.9 mptt -34.18 121.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.569 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 2.4 t80 -60.95 -21.24 63.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 111' ' ' ASN . 4.7 tp60 -84.18 -71.06 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.55 -23.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 109' ' ' GLN . 4.0 m-80 -81.46 -46.53 14.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.568 ' CE1' HG13 ' A' ' 42' ' ' ILE . 3.3 m-85 -52.32 -50.78 61.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -52.31 -38.47 58.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -73.48 -69.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.71 HG23 ' SD ' ' A' ' 27' ' ' MET . 10.1 tp -52.54 -25.57 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 5.1 tp-100 -68.81 -46.06 69.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.567 ' CZ2' ' HG3' ' A' ' 96' ' ' LYS . 5.1 t90 -78.06 -31.25 50.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -57.65 -27.47 62.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.574 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 17.6 tptm -63.04 -68.28 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.4 pttt -54.83 -44.02 73.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -56.01 -34.94 66.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.4 ' CD1' HD21 ' A' ' 58' ' ' LEU . 1.2 t80 -67.72 -38.67 83.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -71.22 -38.78 71.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.58 -32.25 18.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.491 ' HB2' HD22 ' A' ' 58' ' ' LEU . 1.6 m-80 -102.32 -45.71 5.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -63.93 129.5 40.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.06 -40.37 3.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 160.2 41.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.505 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -90.41 176.88 6.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.99 133.36 55.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -136.9 145.95 44.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.955 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 4.1 m120 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 110.912 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.725 ' HB2' HG22 ' A' ' 94' ' ' VAL . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.872 0.367 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.5 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.143 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.824 0.345 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -40.07 -43.44 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -55.32 -71.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 29' ' ' ALA . 84.7 m-20 -52.66 -58.3 7.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.7 mmt -40.93 -42.41 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.9 mt -81.31 -29.34 34.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -67.79 -39.52 84.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.05 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.561 ' CD1' ' HE3' ' A' ' 119' ' ' LYS . 26.4 t90 -62.14 -38.18 88.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.5 t -81.88 -42.34 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -62.01 -20.59 64.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.57 -22.02 14.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.6 m -73.4 -63.52 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.671 HD11 ' CD2' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -114.53 39.28 2.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.651 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 6.4 p80 40.83 54.34 3.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.522 ' HA ' HD13 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -81.56 154.89 25.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -123.13 36.19 4.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -75.59 125.0 28.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 40' ' ' THR . 29.5 m -88.64 -11.49 45.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -150.97 153.58 35.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.506 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 3.6 mm -63.44 -31.24 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.402 ' O ' ' SG ' ' A' ' 46' ' ' CYS . 6.2 pt-20 -62.69 -25.83 68.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -64.18 -37.2 86.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 46' ' ' CYS . 21.1 mt -49.34 -31.68 9.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 47' ' ' SER . 31.8 p -36.61 -35.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.504 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 79.3 p -31.58 -51.58 0.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.96 -36.26 4.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.411 ' HA ' HG13 ' A' ' 68' ' ' VAL . . . -52.01 -56.53 13.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.777 0.322 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -40.49 -58.39 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -49.16 -39.45 29.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.3 m -63.19 -60.13 3.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.62 ' HB3' HD13 ' A' ' 35' ' ' LEU . 14.6 tp60 -46.06 -25.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.671 ' CD2' HD11 ' A' ' 35' ' ' LEU . 7.6 m-85 -75.13 -47.47 28.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.465 ' HG3' ' CD1' ' A' ' 85' ' ' LEU . 75.8 mmm -46.13 -46.78 17.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.52 -45.47 93.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.564 ' HA ' ' CD2' ' A' ' 131' ' ' TYR . 4.0 ttm -54.19 -60.55 3.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.49 -58.65 7.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -118.57 108.85 40.81 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.656 0.741 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.89 46.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.267 . . . . 0.0 112.389 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.92 29.51 73.64 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.9 p -111.49 -31.84 6.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.86 0.362 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 p -124.1 162.51 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 66' ' ' ARG . 3.1 t-160 -113.18 95.7 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.484 HD11 ' HA ' ' A' ' 53' ' ' GLN . 1.8 mp -62.95 -29.69 70.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.559 ' HB2' ' CD2' ' A' ' 64' ' ' HIS . 7.0 mpt_? -58.75 -38.51 78.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.419 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 0.7 OUTLIER -84.3 -15.47 46.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.411 HG13 ' HA ' ' A' ' 49' ' ' ALA . 29.0 t -66.34 129.9 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.519 ' HE3' ' CD2' ' A' ' 80' ' ' HIS . 19.8 mmtp -90.36 93.09 9.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -78.09 -34.43 50.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -100.25 31.81 3.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.11 122.19 14.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.056 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -115.67 -35.93 4.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.2 mt -82.65 168.77 16.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 24.9 tt0 -66.39 -57.83 6.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.414 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 2.7 p80 -49.45 -39.4 33.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.414 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 26.6 mt-10 -57.96 -33.3 68.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.573 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 23.1 m-85 -61.8 -39.7 92.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 82' ' ' PHE . 4.7 mp -72.95 -48.5 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.519 ' CD2' ' HE3' ' A' ' 69' ' ' LYS . 24.8 t60 -33.81 -60.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 47' ' ' SER . 18.7 p30 -51.94 -41.9 62.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.7 ' CD2' HG13 ' A' ' 100' ' ' VAL . 8.1 m-85 -65.13 -36.39 84.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -56.02 -61.26 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.5 p -59.07 -31.17 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.465 ' CD1' ' HG3' ' A' ' 55' ' ' MET . 38.6 tp -68.42 -47.75 66.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -48.88 -35.62 15.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.12 -44.14 96.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.41 -28.9 69.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -69.24 -52.39 28.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 91' ' ' LYS . 43.3 mmtt -69.31 -39.89 77.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 90' ' ' LYS . 34.4 mttm -34.69 -52.87 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 3.7 ptm -88.84 -48.28 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.33 51.29 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.725 HG22 ' HB2' ' A' ' 9' ' ' ALA . 57.4 t -80.98 117.13 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 111.152 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -82.19 37.47 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.565 ' HG2' ' CH2' ' A' ' 117' ' ' TRP . 31.8 tptt -124.54 109.21 12.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 23.2 mm -68.93 142.07 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 70.4 mt -103.43 96.84 9.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.686 0.755 . . . . 0.0 111.172 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 82.46 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.672 2.248 . . . . 0.0 112.371 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.7 HG13 ' CD2' ' A' ' 82' ' ' PHE . 61.1 t -71.46 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.109 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -41.6 -24.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 100' ' ' VAL . 12.0 mttt -99.69 -45.12 5.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.416 HD11 ' CD1' ' A' ' 114' ' ' PHE . 15.8 mt -57.73 -47.43 82.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 100' ' ' VAL . 28.3 m -53.31 -26.57 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.19 -34.33 77.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.53 34.59 13.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.44 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -74.66 104.91 5.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.663 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 2.8 t80 -39.9 -34.94 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.502 ' C ' ' CD ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -71.05 -72.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -48.76 -21.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.496 ' O ' HG22 ' A' ' 115' ' ' ILE . 7.5 m-80 -79.39 -50.03 11.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.663 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 2.5 m-85 -46.34 -48.36 18.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -55.11 -61.73 2.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.416 ' CD1' HD11 ' A' ' 103' ' ' LEU . 5.4 t80 -43.35 -71.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.496 HG22 ' O ' ' A' ' 111' ' ' ASN . 5.7 tp -51.7 -42.12 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.152 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.504 ' CG ' ' O ' ' A' ' 112' ' ' PHE . 33.5 mm-40 -52.74 -61.01 2.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.565 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 7.9 t90 -62.91 -29.99 71.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.4 ' HE2' ' CD2' ' A' ' 54' ' ' PHE . 1.6 t80 -58.82 -34.22 71.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.561 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 22.3 tptm -60.75 -62.9 1.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -57.31 -45.27 84.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -57.33 -29.05 63.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.415 ' O ' ' CB ' ' A' ' 126' ' ' TYR . 0.7 OUTLIER -73.08 -41.31 64.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -71.79 -32.03 67.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -55.25 -39.49 69.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.064 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -100.52 -46.92 5.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.415 ' CB ' ' O ' ' A' ' 122' ' ' PHE . 65.5 t80 -52.94 109.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -105.29 40.24 1.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 67.32 54.14 21.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 11.3 ptmm? -112.28 100.49 8.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.757 0.313 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -40.2 138.81 0.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.842 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.564 ' CD2' ' HA ' ' A' ' 57' ' ' MET . 33.8 t80 -150.59 114.11 4.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.622 0.725 . . . . 0.0 110.905 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.815 0.34 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.665 HG23 ' OD1' ' A' ' 125' ' ' ASN . 60.3 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 24' ' ' ARG . 6.7 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.843 0.354 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 23' ' ' SER . 4.9 ttt-85 -35.02 -40.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -58.9 -70.04 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 27' ' ' MET . 36.1 m-20 -50.07 -61.73 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' ASP . 3.4 mmt -36.44 -50.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.645 HD11 ' HA ' ' A' ' 41' ' ' LYS . 24.7 mt -69.91 -46.74 64.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.07 -46.2 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.579 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 14.3 t90 -52.44 -46.01 66.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -72.37 -45.2 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.076 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -61.14 -14.6 25.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -109.62 -31.45 7.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.7 m -58.62 -63.05 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.609 HD22 ' HG2' ' A' ' 53' ' ' GLN . 3.1 mt -113.49 18.15 17.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 63.89 53.71 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.492 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.5 mm? -85.61 158.62 20.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -119.22 34.03 5.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -76.85 123.61 26.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.9 m -93.18 -8.77 41.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.645 ' HA ' HD11 ' A' ' 28' ' ' LEU . 60.0 mttp -148.8 146.51 28.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.473 HG13 ' CE1' ' A' ' 112' ' ' PHE . 4.8 mm -58.04 -49.62 80.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -44.19 -33.39 1.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -56.52 -47.19 79.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 46' ' ' CYS . 19.1 mt -39.63 -29.34 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 47' ' ' SER . 30.1 p -37.4 -40.08 0.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' CYS . 13.1 m -35.09 -46.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 97.73 -44.12 1.87 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -34.29 -42.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.783 0.325 . . . . 0.0 111.078 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.52 -60.57 3.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -47.58 -43.19 25.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.448 ' HB3' HG21 ' A' ' 68' ' ' VAL . 4.0 m -61.01 -49.37 77.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.609 ' HG2' HD22 ' A' ' 35' ' ' LEU . 55.9 tt0 -61.92 -23.06 66.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -72.88 -48.05 40.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 44.6 mmm -49.05 -37.74 21.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.77 -55.74 20.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.519 ' HG3' ' CG ' ' A' ' 131' ' ' TYR . 4.4 ttm -51.16 -57.58 8.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.5 -57.21 10.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -118.74 96.87 50.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.67 0.748 . . . . 0.0 110.907 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.6 Cg_endo -69.72 142.37 47.96 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.97 20.54 78.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.0 m -111.13 -34.28 6.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.852 0.358 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.9 p -116.78 154.0 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.526 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 4.5 t-160 -107.71 104.16 13.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 mp -73.57 -18.93 61.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.526 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 2.4 tpt180 -63.59 -38.05 89.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -84.62 -15.57 45.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.448 HG21 ' HB3' ' A' ' 52' ' ' CYS . 61.0 t -74.54 129.22 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.136 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.464 ' HE2' ' CD2' ' A' ' 80' ' ' HIS . 29.3 mttm -98.23 101.84 13.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -73.08 -36.76 66.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -86.54 39.8 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.74 131.39 38.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -130.79 -33.48 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.9 mt -80.85 164.18 22.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.578 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 15.4 tp10 -63.26 -61.74 2.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.422 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.7 p80 -47.07 -40.73 15.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.422 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 17.8 mt-10 -55.36 -32.65 62.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.578 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.0 m-85 -63.79 -43.81 95.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.832 HG13 HG11 ' A' ' 104' ' ' VAL . 4.1 mp -65.67 -50.64 70.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.464 ' CD2' ' HE2' ' A' ' 69' ' ' LYS . 28.0 t60 -40.32 -57.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.74 -31.99 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' ILE . 8.9 m-85 -75.36 -30.63 60.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -56.99 -64.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.9 p -55.97 -36.03 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.8 tp -59.86 -48.97 79.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.49 ' O ' ' CD ' ' A' ' 90' ' ' LYS . 11.4 mm-40 -49.55 -40.94 40.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.77 -41.11 77.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.417 ' O ' ' SD ' ' A' ' 92' ' ' MET . . . -62.48 -32.22 73.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -64.95 -41.48 95.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -75.02 -33.72 61.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -38.9 -33.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.417 ' SD ' ' O ' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -109.84 -35.93 6.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.873 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.18 39.56 0.68 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.456 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.618 HG12 ' H ' ' A' ' 96' ' ' LYS . 79.9 t -66.95 115.91 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -84.01 36.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.618 ' H ' HG12 ' A' ' 94' ' ' VAL . 14.8 tptt -126.07 102.37 7.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.8 mm -67.36 126.3 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.413 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 46.2 mt -82.11 111.01 23.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 111.083 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 98' ' ' ILE . 54.1 Cg_endo -69.75 81.94 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.409 ' CG1' HG13 ' A' ' 79' ' ' ILE . 97.4 t -74.82 -59.33 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -44.09 -22.48 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 100' ' ' VAL . 14.4 mttt -100.63 -50.13 3.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.6 mt -52.97 -47.11 68.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.832 HG11 HG13 ' A' ' 79' ' ' ILE . 17.6 m -54.68 -25.81 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -65.32 -30.87 71.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.31 23.8 46.43 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 108.94 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.59 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 2.1 t80 -44.2 -35.36 2.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -71.73 -70.75 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -48.22 -20.45 0.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.47 ' O ' HG22 ' A' ' 115' ' ' ILE . 2.5 m-80 -82.81 -42.0 18.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.59 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 2.9 m-85 -55.03 -50.34 69.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -54.96 -59.53 4.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -45.45 -70.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.548 HG23 ' N ' ' A' ' 116' ' ' GLN . 10.1 tp -50.35 -46.23 25.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.548 ' N ' HG23 ' A' ' 115' ' ' ILE . 13.3 mm-40 -48.37 -57.85 5.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -66.87 -28.78 68.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -60.72 -28.88 68.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.579 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 22.5 tptp -63.9 -61.58 2.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -58.54 -43.56 89.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -63.72 -22.4 66.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.494 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -77.9 -44.17 27.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.415 ' N ' ' CD1' ' A' ' 122' ' ' PHE . 14.2 t70 -73.11 -20.91 60.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.79 -27.03 68.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.665 ' OD1' HG23 ' A' ' 10' ' ' VAL . 20.7 m-80 -117.02 -40.05 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.83 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.569 ' CE2' ' HA2' ' A' ' 128' ' ' GLY . 29.3 t80 -34.09 -66.06 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 59.26 37.5 23.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.569 ' HA2' ' CE2' ' A' ' 126' ' ' TYR . . . 54.5 49.96 58.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 129' ' ' LYS . 5.5 ptmt -95.31 113.06 24.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.37 133.84 34.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.519 ' CG ' ' HG3' ' A' ' 57' ' ' MET . 56.2 t80 -157.25 129.15 7.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.634 0.731 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.524 ' CB ' HG22 ' A' ' 94' ' ' VAL . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.824 0.345 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.441 HG23 ' OD1' ' A' ' 125' ' ' ASN . 89.1 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.17 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 25' ' ' HIS . 7.3 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.928 0.394 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.09 -25.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' SER . 51.6 t60 -72.51 -56.33 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -67.19 -54.02 24.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.592 ' HB2' HD11 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -45.51 -40.69 8.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.401 ' HG ' HD13 ' A' ' 42' ' ' ILE . 20.0 mt -81.24 -46.75 14.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.36 -35.97 41.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.537 ' CD2' ' HD2' ' A' ' 119' ' ' LYS . 18.0 t90 -62.99 -41.06 99.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.521 HG12 ' CG ' ' A' ' 37' ' ' LEU . 66.4 t -78.4 -39.53 24.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -65.22 -12.38 50.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -112.84 -38.49 4.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.7 m -53.94 -58.55 6.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.495 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 2.8 mt -116.1 16.93 15.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 62.59 53.2 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.522 HD12 ' CE2' ' A' ' 39' ' ' TYR . 3.2 mm? -83.07 165.1 19.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -127.93 38.82 3.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.522 ' CE2' HD12 ' A' ' 37' ' ' LEU . 25.0 m-85 -85.86 128.38 34.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 42.2 p -102.42 -3.39 27.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.137 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -145.76 130.59 18.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.592 HD11 ' HB2' ' A' ' 27' ' ' MET . 7.3 mm -48.48 -39.81 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.22 -41.42 62.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' CYS . 10.4 mm100 -46.36 -50.18 16.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.44 HD13 HD13 ' A' ' 115' ' ' ILE . 14.4 mt -40.0 -27.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 47' ' ' SER . 27.7 p -39.3 -40.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' CYS . 20.4 t -34.3 -49.61 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 103.71 -48.43 1.01 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -34.22 -45.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.344 . . . . 0.0 111.076 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.08 -64.27 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -46.6 -36.3 6.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.2 m -64.92 -58.83 5.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.476 ' HA ' HD11 ' A' ' 65' ' ' LEU . 36.6 tt0 -51.6 -25.36 6.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -69.26 -45.91 68.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 29.0 mmm -48.64 -37.81 19.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -68.07 -41.57 81.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 8.4 tpp -59.14 -53.49 57.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.716 HD21 ' CD2' ' A' ' 122' ' ' PHE . 9.9 mt -75.18 -66.96 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 2.7 m-85 -104.09 95.82 8.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.684 0.754 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.74 142.77 48.92 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.97 23.25 78.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.528 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.4 m -113.01 -27.97 7.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 0.0 110.88 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.9 p -121.73 152.27 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.423 ' O ' HG23 ' A' ' 68' ' ' VAL . 4.9 t-160 -109.59 97.04 6.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.476 HD11 ' HA ' ' A' ' 53' ' ' GLN . 3.3 mp -66.19 -35.86 81.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -49.43 -42.68 43.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.824 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -79.08 -14.0 59.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 64' ' ' HIS . 61.6 t -80.55 143.49 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.585 ' HD2' ' CD2' ' A' ' 80' ' ' HIS . 3.4 mtpm? -108.51 105.27 14.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -73.4 -41.96 62.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -82.29 39.75 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.17 127.37 32.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 7.2 tmtm? -126.73 -36.06 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.6 mt -78.53 161.79 26.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.446 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 34.4 tt0 -62.56 -63.11 1.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.419 ' NE2' ' HG3' ' A' ' 77' ' ' GLU . 5.4 p80 -45.8 -39.01 7.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.419 ' HG3' ' NE2' ' A' ' 76' ' ' HIS . 48.1 mt-10 -57.66 -38.76 75.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.446 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.4 m-85 -59.64 -39.59 84.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 82' ' ' PHE . 3.5 mp -67.08 -55.34 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.585 ' CD2' ' HD2' ' A' ' 69' ' ' LYS . 80.9 t60 -40.12 -51.09 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.98 -36.23 67.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.456 ' CG ' HG22 ' A' ' 100' ' ' VAL . 15.5 m-85 -77.31 -33.88 55.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -52.01 -60.17 3.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.1 p -61.9 -32.84 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.7 tp -65.16 -41.45 94.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.402 ' NE2' ' HB ' ' A' ' 98' ' ' ILE . 8.1 mm-40 -52.47 -37.33 56.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.04 -40.69 94.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.36 -34.16 74.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -65.77 -54.14 31.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 91' ' ' LYS . 66.5 mmtt -66.54 -44.39 82.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 90' ' ' LYS . 25.4 mttp -33.53 -57.84 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.471 ' CG ' HG23 ' A' ' 94' ' ' VAL . 5.4 ptm -76.89 -46.71 23.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.92 37.93 0.34 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.561 HG12 ' H ' ' A' ' 96' ' ' LYS . 67.1 t -73.19 123.45 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.354 . . . . 0.0 111.144 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -90.89 36.98 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.561 ' H ' HG12 ' A' ' 94' ' ' VAL . 50.7 tptt -123.92 111.36 15.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 82.3 mt -68.37 145.76 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.404 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 69.7 mt -105.39 101.07 29.29 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.727 . . . . 0.0 111.184 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 98' ' ' ILE . 53.6 Cg_endo -69.73 79.73 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.732 2.288 . . . . 0.0 112.312 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.456 HG22 ' CG ' ' A' ' 82' ' ' PHE . 97.2 t -70.75 -53.73 20.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -49.59 -29.84 7.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -95.48 -35.48 11.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 103' ' ' LEU . 11.6 mt -63.99 -52.35 59.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.2 m -51.43 -28.47 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -56.89 -28.99 62.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 78.37 32.93 41.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.458 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 109' ' ' GLN . 60.6 mmtt -76.06 103.33 6.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.333 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.539 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 3.0 t80 -37.48 -32.75 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 107' ' ' LYS . 5.8 tp60 -75.51 -70.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -47.06 -21.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.452 ' O ' HG22 ' A' ' 115' ' ' ILE . 3.7 m-80 -81.94 -42.88 18.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.545 ' CE1' HG13 ' A' ' 42' ' ' ILE . 1.9 m-85 -53.2 -47.75 68.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -55.46 -48.55 74.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -60.06 -70.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.452 HG22 ' O ' ' A' ' 111' ' ' ASN . 9.6 tp -51.13 -35.81 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.495 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 4.0 tp-100 -57.55 -57.29 13.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.486 ' HA ' ' CD ' ' A' ' 120' ' ' LYS . 18.3 t90 -71.8 -21.91 61.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -64.98 -31.09 72.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.537 ' HD2' ' CD2' ' A' ' 30' ' ' TRP . 17.5 tptm -71.45 -55.86 7.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.486 ' CD ' ' HA ' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -59.7 -39.84 85.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.917 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -68.9 -32.99 73.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.716 ' CD2' HD21 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -70.02 -36.26 74.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -76.02 -37.74 58.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -55.19 -33.68 63.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.092 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.441 ' OD1' HG23 ' A' ' 10' ' ' VAL . 24.4 m-80 -98.02 -47.95 5.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -41.29 144.46 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -130.48 -44.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 143.47 72.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.81 145.7 49.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -80.3 132.24 35.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -137.74 140.07 40.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.8 m120 . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.57 0.7 . . . . 0.0 110.913 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.668 ' CB ' HG22 ' A' ' 94' ' ' VAL . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.881 0.372 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.835 0.35 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.452 ' HA ' HD11 ' A' ' 42' ' ' ILE . 13.3 ptt180 -43.0 -43.76 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -63.89 -70.83 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.441 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 74.2 m-20 -45.49 -66.43 0.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.6 mtp -41.57 -54.99 3.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.497 ' O ' ' ND2' ' A' ' 32' ' ' ASN . 42.7 mt -56.46 -29.77 62.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 26' ' ' ASP . . . -71.76 -41.2 68.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.061 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.579 ' CE3' ' HG2' ' A' ' 119' ' ' LYS . 16.7 t90 -62.21 -51.19 68.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.475 HG23 ' CE3' ' A' ' 30' ' ' TRP . 99.4 t -68.56 -32.57 55.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 28' ' ' LEU . 77.4 m-20 -70.47 -15.98 62.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -109.63 -23.51 11.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -67.03 -66.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.526 HD11 ' CD2' ' A' ' 54' ' ' PHE . 0.9 OUTLIER -107.84 19.09 20.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 62.65 54.93 2.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.483 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 1.3 mm? -89.05 161.74 16.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -131.14 43.75 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -82.02 121.98 27.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.628 HG23 ' HG3' ' A' ' 41' ' ' LYS . 9.5 t -88.15 -12.4 44.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.189 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.628 ' HG3' HG23 ' A' ' 40' ' ' THR . 6.6 mtpm? -148.04 140.82 24.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.466 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 4.6 mm -51.0 -47.38 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -44.18 -37.17 3.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' CYS . 10.8 mm100 -50.19 -49.06 53.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.627 HD13 HD13 ' A' ' 115' ' ' ILE . 21.9 mt -41.94 -23.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' GLN . 23.0 p -47.59 -38.41 14.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' CYS . 68.5 p -34.18 -47.9 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.7 -37.29 3.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.458 ' HA ' ' CG1' ' A' ' 68' ' ' VAL . . . -44.61 -50.8 9.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.762 0.315 . . . . 0.0 111.075 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.7 -66.1 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.07 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -42.63 -33.46 0.72 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.442 ' HA ' HD13 ' A' ' 85' ' ' LEU . 36.9 m -71.46 -50.64 29.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -54.85 -25.31 27.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.526 ' CD2' HD11 ' A' ' 35' ' ' LEU . 11.8 m-85 -70.73 -48.89 52.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 69.3 mmm -50.81 -35.79 34.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -66.51 -48.1 70.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.4 ttm -57.55 -59.36 5.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.9 mt -64.92 -62.31 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.528 ' CZ ' ' HE1' ' A' ' 92' ' ' MET . 2.1 m-85 -107.96 96.43 17.65 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.679 0.752 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 54.3 Cg_endo -69.75 144.11 53.02 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.244 . . . . 0.0 112.339 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.86 28.63 72.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 23.0 m -116.88 -26.56 6.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.564 HG13 HD13 ' A' ' 65' ' ' LEU . 8.5 p -123.22 148.97 26.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.507 ' HB3' HG21 ' A' ' 84' ' ' VAL . 1.8 t60 -104.32 93.81 5.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.564 HD13 HG13 ' A' ' 63' ' ' VAL . 3.9 mp -67.81 -27.94 67.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.456 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -56.43 -39.61 73.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.499 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 10.6 mtpt -83.32 -13.33 55.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.458 ' CG1' ' HA ' ' A' ' 49' ' ' ALA . 66.8 t -79.39 134.33 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 1.5 mtpt -88.24 107.44 18.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -80.41 -24.95 39.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -109.94 36.27 3.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.44 130.03 34.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 pttm -127.16 -36.61 2.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.3 mt -87.43 169.74 11.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.581 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 34.7 tt0 -68.53 -53.66 21.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -54.25 -28.9 44.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -70.43 -23.98 62.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.581 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 20.8 m-85 -72.47 -31.0 65.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.586 HG13 HG11 ' A' ' 104' ' ' VAL . 5.2 mp -83.06 -37.47 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.499 ' CD2' ' O ' ' A' ' 67' ' ' LYS . 77.1 t60 -46.72 -62.25 1.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -53.35 -33.58 54.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.796 ' CD2' HG13 ' A' ' 100' ' ' VAL . 4.5 m-85 -72.85 -34.17 66.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -56.37 -69.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.507 HG21 ' HB3' ' A' ' 64' ' ' HIS . 7.1 p -52.35 -36.13 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 52' ' ' CYS . 27.4 tp -60.94 -46.2 91.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.424 ' NE2' ' HB ' ' A' ' 98' ' ' ILE . 12.3 mm-40 -51.05 -36.52 40.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.12 -44.78 96.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.78 -35.05 68.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.066 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.421 ' O ' HG23 ' A' ' 94' ' ' VAL . 2.7 m-85 -60.22 -56.23 24.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 91' ' ' LYS . 0.6 OUTLIER -66.81 -40.02 87.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 90' ' ' LYS . 4.6 mtpm? -35.2 -50.55 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.528 ' HE1' ' CZ ' ' A' ' 59' ' ' PHE . 4.7 ptm -88.15 -46.09 9.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 134.81 47.07 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.668 HG22 ' CB ' ' A' ' 9' ' ' ALA . 38.4 t -91.35 114.44 28.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 111.159 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.26 29.53 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.573 ' H ' HG12 ' A' ' 94' ' ' VAL . 6.5 tmtt? -106.13 105.12 15.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.8 mm -66.37 131.32 32.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.424 ' HB ' ' NE2' ' A' ' 86' ' ' GLN . 80.2 mt -93.11 107.09 22.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.738 . . . . 0.0 111.15 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 98' ' ' ILE . 53.5 Cg_endo -69.74 82.54 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.796 HG13 ' CD2' ' A' ' 82' ' ' PHE . 25.7 t -74.62 -62.87 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -40.64 -25.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 100' ' ' VAL . 19.8 mttt -97.92 -50.52 4.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.0 mt -52.61 -48.73 66.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.586 HG11 HG13 ' A' ' 79' ' ' ILE . 25.1 m -52.97 -37.36 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -53.37 -23.58 9.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.17 36.46 60.17 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 109' ' ' GLN . 6.4 mmmm -78.15 101.01 6.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.515 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 2.5 t80 -35.27 -31.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 107' ' ' LYS . 2.9 tm0? -76.64 -72.55 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.33 -22.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 109' ' ' GLN . 2.7 m-80 -81.58 -47.91 12.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.515 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 2.8 m-85 -48.73 -49.17 39.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -56.72 -44.71 81.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -60.77 -70.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.627 HD13 HD13 ' A' ' 45' ' ' LEU . 8.8 tp -51.9 -38.67 23.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.449 ' CG ' ' O ' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -46.72 -50.35 18.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.452 ' CH2' ' HG3' ' A' ' 96' ' ' LYS . 11.2 t90 -81.62 -39.64 24.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -47.27 -41.94 19.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.579 ' HG2' ' CE3' ' A' ' 30' ' ' TRP . 1.8 tmtt? -55.41 -40.52 71.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -71.87 -44.89 63.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -51.55 -28.71 14.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.586 ' CE1' ' CD2' ' A' ' 126' ' ' TYR . 5.1 t80 -73.24 -43.44 61.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -75.13 -25.99 58.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.45 -32.43 73.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -108.27 -48.13 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.586 ' CD2' ' CE1' ' A' ' 122' ' ' PHE . 19.2 t80 -54.32 101.62 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -86.21 -44.79 11.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 162.31 50.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.28 147.63 31.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -88.05 144.95 26.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -143.32 155.28 44.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 4.6 m120 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.71 . . . . 0.0 110.889 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.71 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.882 0.372 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.409 ' O ' HG12 ' A' ' 10' ' ' VAL . 76.9 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 24' ' ' ARG . 6.3 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.893 0.378 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 23' ' ' SER . 20.7 ptt180 -36.73 -49.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 26' ' ' ASP . 22.3 t60 -59.34 -69.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.431 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 5.9 m-20 -37.13 -63.54 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' TRP . 5.0 mtp -48.44 -66.35 0.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.614 HD11 ' HA ' ' A' ' 41' ' ' LYS . 23.8 mt -43.45 -31.19 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 26' ' ' ASP . . . -75.88 -36.06 59.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.108 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.54 ' CE3' ' HD3' ' A' ' 119' ' ' LYS . 3.1 t90 -67.47 -51.48 50.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.4 t -67.94 -34.61 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.444 ' CG ' ' O ' ' A' ' 28' ' ' LEU . 79.6 m-20 -64.39 -22.53 66.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -105.35 -17.93 14.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.1 m -72.77 -65.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.576 HD11 ' CD2' ' A' ' 54' ' ' PHE . 3.2 mt -105.61 16.51 25.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 63.41 55.03 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.51 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 1.1 mm? -90.96 161.27 15.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -129.39 43.22 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -84.7 129.94 34.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.552 HG23 ' HG3' ' A' ' 41' ' ' LYS . 14.5 t -95.91 -5.93 40.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.162 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.614 ' HA ' HD11 ' A' ' 28' ' ' LEU . 37.2 mttm -155.25 140.18 17.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.505 HG13 ' CE1' ' A' ' 112' ' ' PHE . 4.9 mm -49.34 -47.66 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -42.97 -38.22 2.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' CYS . 12.8 mm100 -51.17 -47.94 62.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 46' ' ' CYS . 14.4 mt -39.67 -27.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' GLN . 29.0 p -37.56 -38.73 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.448 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 5.0 t -38.57 -46.51 1.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 94.82 -42.61 2.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.21 -42.03 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.771 0.32 . . . . 0.0 111.061 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.71 -53.76 54.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -51.46 -35.81 41.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.44 ' HA ' HD13 ' A' ' 85' ' ' LEU . 46.3 m -64.57 -55.57 19.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.471 ' HG2' HD22 ' A' ' 35' ' ' LEU . 15.6 tt0 -52.41 -28.97 22.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.915 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.576 ' CD2' HD11 ' A' ' 35' ' ' LEU . 9.3 m-85 -67.46 -33.88 76.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 84.0 mmm -68.13 -29.81 68.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -79.47 -38.66 34.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.1 ptm -68.22 -38.82 82.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.471 HD21 ' CD2' ' A' ' 122' ' ' PHE . 21.8 mt -84.13 -60.59 2.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.492 ' CG ' ' HE1' ' A' ' 92' ' ' MET . 0.2 OUTLIER -113.32 98.75 47.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.662 0.744 . . . . 0.0 110.911 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.75 143.77 51.95 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.369 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.63 24.49 76.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.513 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.7 m -115.5 -34.84 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.3 p -119.03 151.06 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -111.03 98.52 7.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.42 HD21 ' HG3' ' A' ' 53' ' ' GLN . 4.1 mp -66.54 -27.85 68.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -42.87 65.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.14 -13.31 59.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.6 t -81.65 143.62 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.169 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -107.8 107.31 18.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -76.15 -37.94 57.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -86.35 33.48 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.59 131.11 46.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.79 -32.94 1.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 76.4 mt -80.5 168.42 18.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.407 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 38.3 tt0 -70.41 -57.38 4.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -53.41 -32.61 50.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -61.84 -36.37 81.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.448 ' CD1' ' HA ' ' A' ' 47' ' ' SER . 24.0 m-85 -63.99 -37.64 88.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.539 ' CD1' HG11 ' A' ' 104' ' ' VAL . 3.5 mp -69.47 -49.37 60.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -46.88 -54.41 10.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.96 -32.92 48.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.589 ' CG ' HG22 ' A' ' 100' ' ' VAL . 12.4 m-85 -74.96 -41.59 59.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -44.91 -63.69 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.2 p -56.68 -39.06 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 52' ' ' CYS . 22.1 tp -58.59 -43.09 89.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -55.05 -38.14 67.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.64 -43.95 85.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.81 -35.44 72.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -62.31 -56.85 14.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 91' ' ' LYS . 43.6 mmtm -64.25 -42.24 96.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 90' ' ' LYS . 9.2 mtpp -37.58 -45.67 0.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.71 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 10.7 ptp -89.01 -48.05 7.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.417 ' N ' ' HG3' ' A' ' 92' ' ' MET . . . 134.67 30.78 0.37 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.5 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.695 HG12 ' H ' ' A' ' 96' ' ' LYS . 62.1 t -71.94 117.07 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.119 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -87.79 27.28 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.695 ' H ' HG12 ' A' ' 94' ' ' VAL . 4.0 tmtm? -108.74 107.42 17.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.473 ' H ' HD12 ' A' ' 97' ' ' ILE . 5.0 mp -69.0 140.13 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.419 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 70.5 mt -99.54 107.29 44.71 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.618 0.723 . . . . 0.0 111.111 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 98' ' ' ILE . 53.4 Cg_endo -69.76 78.91 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.712 2.275 . . . . 0.0 112.31 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.589 HG22 ' CG ' ' A' ' 82' ' ' PHE . 32.4 t -66.61 -71.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 100' ' ' VAL . 2.3 mm-40 -31.11 -37.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 100' ' ' VAL . 16.7 mmtt -83.66 -60.35 2.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.3 mt -42.74 -53.96 4.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.539 HG11 ' CD1' ' A' ' 79' ' ' ILE . 35.8 m -43.53 -45.98 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.513 ' N ' HG23 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -49.87 -38.17 34.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.54 27.9 18.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 109' ' ' GLN . 8.3 mtpm? -64.29 102.08 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.834 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.497 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 3.3 t80 -37.76 -28.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 107' ' ' LYS . 6.6 tp60 -80.83 -70.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -46.36 -20.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 109' ' ' GLN . 3.4 m-80 -83.95 -40.68 18.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.505 ' CE1' HG13 ' A' ' 42' ' ' ILE . 3.4 m-85 -55.58 -47.85 75.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -55.22 -42.5 73.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -66.1 -69.02 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 9.0 tp -53.5 -30.09 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.487 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 6.5 tp60 -60.15 -50.65 72.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.491 ' HA ' ' CD ' ' A' ' 120' ' ' LYS . 3.6 t90 -84.4 -14.91 48.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -68.14 -31.42 70.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.54 ' HD3' ' CE3' ' A' ' 30' ' ' TRP . 16.8 tptp -70.56 -58.05 4.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.491 ' CD ' ' HA ' ' A' ' 117' ' ' TRP . 4.3 ptmt -54.35 -41.86 69.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.462 ' HE1' ' HB1' ' A' ' 9' ' ' ALA . 38.9 t80 -67.08 -33.57 75.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.471 ' CD2' HD21 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -64.21 -42.83 96.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -75.47 -30.77 60.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.811 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.19 -23.19 62.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -114.52 -45.65 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.509 ' CE2' ' HA2' ' A' ' 128' ' ' GLY . 61.6 t80 -44.11 107.45 0.09 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -78.23 -45.11 23.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.509 ' HA2' ' CE2' ' A' ' 126' ' ' TYR . . . 139.57 49.38 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.33 132.86 54.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.762 0.315 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -66.69 126.85 30.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -123.48 128.41 49.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.56 0.695 . . . . 0.0 110.89 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.675 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.826 0.346 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.0 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 24' ' ' ARG . 2.4 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.836 0.351 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 23' ' ' SER . 18.2 mtm-85 -33.18 -68.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -39.52 -70.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 29' ' ' ALA . 5.8 m-20 -48.37 -63.52 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 26' ' ' ASP . 2.9 mmt -35.43 -43.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.409 HD11 ' CA ' ' A' ' 41' ' ' LYS . 31.3 mt -79.33 -36.27 39.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -61.7 -40.0 93.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.524 ' CD2' ' HD2' ' A' ' 119' ' ' LYS . 16.7 t90 -56.13 -55.15 36.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.47 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 46.4 t -70.86 -38.0 70.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -63.09 -11.66 21.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -115.26 -34.09 5.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.0 m -54.81 -64.96 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.501 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 3.0 mt -107.13 17.02 23.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 64.46 50.91 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.501 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 3.0 mm? -84.64 163.7 19.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -128.79 39.44 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.471 ' CE2' HD12 ' A' ' 37' ' ' LEU . 24.2 m-85 -82.43 118.96 23.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 66.7 p -89.17 -11.3 44.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.128 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.409 ' CA ' HD11 ' A' ' 28' ' ' LEU . 32.1 mttm -140.49 133.24 28.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.567 HG13 ' CE1' ' A' ' 112' ' ' PHE . 20.7 mm -48.19 -39.41 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -51.58 -37.38 49.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 46' ' ' CYS . 20.3 mm-40 -46.31 -51.06 15.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.421 ' CD1' HD13 ' A' ' 115' ' ' ILE . 23.8 mt -39.01 -26.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 44' ' ' GLN . 28.5 p -41.8 -40.15 1.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' CYS . 26.2 m -33.98 -44.07 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.787 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 99.86 -51.95 1.04 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -34.07 -60.09 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.826 0.346 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.37 -59.21 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -49.55 -43.2 45.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.4 ' HA ' HD13 ' A' ' 85' ' ' LEU . 9.7 m -64.22 -52.84 56.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.501 ' NE2' HD22 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -53.36 -27.23 22.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.48 ' CG ' HD11 ' A' ' 35' ' ' LEU . 9.2 m-85 -69.59 -46.37 66.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 43.3 mmm -46.17 -38.81 8.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.11 -39.5 75.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.836 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.2 tpp -55.2 -50.13 70.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.578 HD11 ' HA ' ' A' ' 122' ' ' PHE . 41.1 mt -82.51 -62.91 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.411 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 1.5 m-85 -102.68 96.83 8.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.731 . . . . 0.0 110.874 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.9 Cg_endo -69.75 142.44 47.97 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.669 2.246 . . . . 0.0 112.389 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.77 26.5 73.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.456 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.0 m -111.63 -37.41 5.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.839 0.352 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.543 HG13 HD13 ' A' ' 65' ' ' LEU . 9.4 p -112.91 146.6 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -99.96 93.32 5.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.543 HD13 HG13 ' A' ' 63' ' ' VAL . 2.0 mp -62.31 -38.44 89.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.83 -45.58 7.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -75.68 -25.18 56.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 92.9 t -66.65 133.31 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.555 ' HE2' ' CD2' ' A' ' 80' ' ' HIS . 35.1 mttm -100.75 105.59 16.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -73.88 -46.37 45.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -81.98 40.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.44 125.46 26.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.098 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.8 tttm -123.79 -37.78 2.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.8 mt -77.97 163.76 25.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -63.87 -63.04 1.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -47.92 -37.07 13.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -55.83 -40.96 73.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -60.51 -40.23 90.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 82' ' ' PHE . 3.5 mp -67.06 -53.28 35.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.555 ' CD2' ' HE2' ' A' ' 69' ' ' LYS . 39.9 t60 -39.72 -49.68 2.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.56 -33.15 73.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.569 ' CD2' HG13 ' A' ' 100' ' ' VAL . 12.8 m-85 -74.58 -36.9 63.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -53.0 -59.74 4.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.1 p -58.16 -36.15 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 52' ' ' CYS . 33.5 tp -60.43 -48.67 80.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.45 ' NE2' ' HB ' ' A' ' 98' ' ' ILE . 11.3 mm-40 -45.95 -40.14 9.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.05 77.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.36 87.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.446 ' CG ' HD11 ' A' ' 98' ' ' ILE . 3.4 m-85 -65.24 -41.55 94.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 91' ' ' LYS . 26.1 mmtp -75.62 -39.12 58.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 90' ' ' LYS . 14.4 mtpt -34.24 -37.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.675 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 15.3 ptp -105.32 -46.74 4.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.92 24.25 0.81 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.528 HG12 ' H ' ' A' ' 96' ' ' LYS . 57.6 t -52.89 113.67 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 0.0 111.168 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -83.44 35.04 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.528 ' H ' HG12 ' A' ' 94' ' ' VAL . 2.5 tmtm? -113.63 86.23 2.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.408 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 28.2 mm -47.15 135.7 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.099 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.45 ' HB ' ' NE2' ' A' ' 86' ' ' GLN . 67.4 mt -101.07 98.53 8.85 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.632 0.73 . . . . 0.0 111.11 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 97' ' ' ILE . 53.8 Cg_endo -69.74 81.68 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.36 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.779 ' O ' HG22 ' A' ' 104' ' ' VAL . 65.7 t -72.07 -56.96 8.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -41.83 -24.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 100' ' ' VAL . 18.1 mttt -101.27 -53.98 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 28.2 mt -46.54 -44.8 18.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 100' ' ' VAL . 18.5 m -60.28 -36.3 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -42.91 -33.21 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.26 31.5 19.5 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -77.57 -177.57 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.558 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 2.0 t80 -113.64 -33.85 5.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -69.23 -70.82 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.29 -23.3 1.34 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.776 ' O ' HG22 ' A' ' 115' ' ' ILE . 2.4 m-80 -79.99 -33.86 39.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.567 ' CE1' HG13 ' A' ' 42' ' ' ILE . 2.2 m-85 -63.35 -48.15 79.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -56.77 -56.34 22.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -49.42 -70.99 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.776 HG22 ' O ' ' A' ' 111' ' ' ASN . 8.2 tp -52.51 -41.73 37.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.152 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 4.8 tp-100 -49.56 -54.8 16.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.454 ' CZ3' ' HG3' ' A' ' 96' ' ' LYS . 16.6 t90 -68.48 -47.44 67.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -47.37 -20.3 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.524 ' HD2' ' CD2' ' A' ' 30' ' ' TRP . 22.2 tptp -62.79 -61.78 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.45 ' HD3' ' HA ' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -69.84 -32.53 70.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.861 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -60.68 -29.37 69.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.578 ' HA ' HD11 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -74.57 -49.02 23.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.404 ' N ' ' CD1' ' A' ' 122' ' ' PHE . 24.1 m-20 -66.64 -37.13 84.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.35 -40.81 50.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -94.23 -45.52 7.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.455 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 33.4 t80 -51.99 145.67 9.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -134.49 -49.68 0.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 167.34 51.92 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.521 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.74 110.11 19.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.759 0.314 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -54.1 151.85 6.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.863 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.427 ' CE1' ' OE1' ' A' ' 53' ' ' GLN . 58.2 t80 -155.18 127.76 7.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.651 0.738 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.721 ' HB2' HG22 ' A' ' 94' ' ' VAL . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.797 0.332 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.1 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.9 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 -50.08 -48.25 53.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -53.1 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.18 -51.88 23.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.1 mmt -46.64 -50.52 17.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' A' ' 41' ' ' LYS . 24.5 mt -72.16 -31.4 65.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.13 88.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 34.8 t90 -55.08 -34.61 63.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.477 HG12 ' CG ' ' A' ' 37' ' ' LEU . 59.5 t -85.78 -38.32 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 -70.79 -6.21 36.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.23 -23.96 9.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.1 m -74.61 -62.35 1.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.664 ' C ' ' CD2' ' A' ' 36' ' ' HIS . 0.7 OUTLIER -113.35 36.65 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.664 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 6.5 p80 42.13 55.02 4.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.506 ' HA ' HD13 ' A' ' 37' ' ' LEU . 1.2 mm? -79.2 164.1 24.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -134.05 35.42 3.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.499 ' CE2' HD23 ' A' ' 45' ' ' LEU . 18.1 m-85 -75.42 131.57 40.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.0 m -91.37 -11.82 36.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.166 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.4 ' HA ' HD11 ' A' ' 28' ' ' LEU . 53.0 mttp -153.71 147.79 25.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.552 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 3.2 mm -52.75 -45.04 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -46.74 -38.5 10.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -50.03 -48.34 52.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.551 HD13 HD13 ' A' ' 115' ' ' ILE . 40.6 mt -41.32 -29.52 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 47' ' ' SER . 31.5 p -38.38 -35.83 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' CYS . 75.6 p -35.18 -42.66 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.22 -43.18 2.4 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -39.6 -51.56 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.309 . . . . 0.0 111.06 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.81 -63.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.087 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -42.55 -41.12 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.2 m -64.17 -53.25 52.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.479 ' HB3' HD13 ' A' ' 35' ' ' LEU . 20.7 tt0 -56.09 -20.27 16.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.942 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.448 ' CD2' HD11 ' A' ' 35' ' ' LEU . 9.8 m-85 -77.51 -44.69 27.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 38.8 mmm -52.41 -42.86 64.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -58.47 -49.46 77.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.525 ' HA ' ' CD2' ' A' ' 131' ' ' TYR . 3.3 ttm -58.18 -57.25 13.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.2 mt -64.04 -63.93 1.02 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.41 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 5.1 m-85 -112.51 96.08 34.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.603 0.716 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.9 Cg_endo -69.68 144.3 54.04 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.733 2.289 . . . . 0.0 112.369 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.25 17.38 78.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.543 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.7 t -110.51 -33.05 6.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.3 p -120.94 154.46 24.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.467 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 5.0 t-160 -111.46 105.7 14.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.468 HD11 ' HA ' ' A' ' 53' ' ' GLN . 1.9 mp -72.53 -23.96 61.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.467 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 7.8 tpt180 -60.38 -35.99 77.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -84.82 -13.7 50.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.6 t -75.54 137.43 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -105.05 99.87 9.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -74.59 -32.6 62.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -90.62 35.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.92 137.19 55.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -132.39 -33.51 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.4 mt -87.83 166.13 14.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.51 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 38.5 tt0 -63.65 -62.28 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.438 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 6.6 p80 -43.58 -42.41 5.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.438 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 16.3 mt-10 -54.17 -39.96 67.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.51 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 17.3 m-85 -58.81 -40.27 83.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.529 HG13 HG11 ' A' ' 104' ' ' VAL . 3.9 mp -69.87 -51.47 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 46.0 t60 -38.42 -54.2 1.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.4 -41.31 84.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.556 ' CD2' HG13 ' A' ' 100' ' ' VAL . 11.5 m-85 -60.44 -46.52 89.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.408 ' HD2' ' HA ' ' A' ' 80' ' ' HIS . 2.5 mtpt -44.94 -67.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.6 p -49.14 -37.64 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.4 tp -65.8 -37.07 85.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -55.63 -43.15 75.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.73 -40.99 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.21 -30.25 70.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -70.92 -56.76 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 91' ' ' LYS . 24.4 mmtp -64.12 -41.99 97.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 90' ' ' LYS . 42.7 mttm -37.06 -39.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.531 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 7.3 ptp -98.75 -42.16 7.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 124.4 22.68 2.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.721 HG22 ' HB2' ' A' ' 9' ' ' ALA . 81.2 t -51.71 117.43 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 111.075 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -83.1 37.67 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.581 ' H ' HG12 ' A' ' 94' ' ' VAL . 29.3 tptt -131.89 104.27 6.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 26.4 mm -66.89 143.88 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.409 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 72.6 mt -96.6 104.74 19.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 98' ' ' ILE . 53.9 Cg_endo -69.76 80.1 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.384 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.556 HG13 ' CD2' ' A' ' 82' ' ' PHE . 84.0 t -72.65 -60.48 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.053 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -37.27 -28.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 100' ' ' VAL . 18.2 mttt -98.53 -55.13 2.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 103' ' ' LEU . 12.5 mt -44.45 -50.9 9.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 100' ' ' VAL . 35.8 m -50.36 -38.98 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -53.43 -36.87 62.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 88.53 28.27 22.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.493 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 109' ' ' GLN . 42.0 mttp -67.59 103.61 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.552 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 1.8 t80 -38.53 -29.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 107' ' ' LYS . 1.9 tm0? -75.85 -72.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -48.73 -21.3 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.653 ' O ' HG22 ' A' ' 115' ' ' ILE . 2.4 m-80 -80.13 -40.63 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.52 ' CE1' HG13 ' A' ' 42' ' ' ILE . 3.1 m-85 -58.02 -50.28 73.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -53.6 -46.04 70.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -64.04 -70.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.653 HG22 ' O ' ' A' ' 111' ' ' ASN . 9.1 tp -50.04 -32.45 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 3.4 tp-100 -60.66 -57.12 14.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 31.8 t90 -68.09 -43.04 79.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -48.11 -24.85 1.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -67.92 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 18.5 pttt -61.02 -22.6 64.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -73.74 -19.45 60.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.478 ' O ' ' CB ' ' A' ' 126' ' ' TYR . 0.3 OUTLIER -85.29 -32.92 22.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -79.3 -34.12 42.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.05 -21.64 66.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -109.63 -48.19 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.478 ' CB ' ' O ' ' A' ' 122' ' ' PHE . 54.0 t80 -49.55 111.42 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.09 -67.93 0.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.443 ' HA2' ' CE1' ' A' ' 126' ' ' TYR . . . 162.42 46.75 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.22 142.76 38.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.15 115.58 13.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.525 ' CD2' ' HA ' ' A' ' 57' ' ' MET . 32.7 t80 -118.97 127.79 53.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.625 0.726 . . . . 0.0 110.936 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.924 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.802 0.334 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.418 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 68.7 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.882 0.372 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.0 ptt85 -135.02 -52.71 0.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -60.6 -57.05 14.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.52 -40.69 79.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.497 ' HB2' HD11 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -58.42 -47.39 84.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.477 ' HG ' HD13 ' A' ' 42' ' ' ILE . 52.6 mt -73.28 -36.14 66.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.75 92.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.086 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.567 ' CD1' ' HE3' ' A' ' 119' ' ' LYS . 21.7 t90 -59.55 -42.22 91.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.48 HG12 ' HB2' ' A' ' 37' ' ' LEU . 91.3 t -79.0 -39.89 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.123 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -62.96 -23.06 67.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -103.49 -32.73 9.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 m -56.43 -68.15 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.57 HD22 ' HG2' ' A' ' 53' ' ' GLN . 3.4 mt -108.26 21.97 16.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 61.77 54.96 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.49 HD12 ' CE2' ' A' ' 39' ' ' TYR . 3.4 mm? -91.23 160.41 15.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -124.55 36.3 4.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.49 ' CE2' HD12 ' A' ' 37' ' ' LEU . 26.0 m-85 -77.57 119.0 20.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.2 t -96.69 -4.1 41.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -140.88 128.17 21.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.578 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 15.5 mm -50.81 -31.23 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.402 ' O ' ' SG ' ' A' ' 46' ' ' CYS . 2.1 pp20? -63.25 -36.51 83.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -48.68 -48.65 39.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.58 HD13 HD13 ' A' ' 115' ' ' ILE . 13.9 mt -41.09 -32.68 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.487 ' O ' ' C ' ' A' ' 47' ' ' SER . 31.3 p -35.37 -43.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.504 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 10.0 t -30.83 -52.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.19 -40.09 2.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.472 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.32 -39.97 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 0.0 111.073 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.37 -64.76 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -46.08 -39.66 9.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.8 m -61.93 -61.84 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.57 ' HG2' HD22 ' A' ' 35' ' ' LEU . 30.1 tt0 -45.03 -33.01 1.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -65.27 -42.25 93.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 48.0 mmm -54.22 -38.72 66.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -65.34 -46.18 81.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.424 ' HG3' ' CB ' ' A' ' 131' ' ' TYR . 2.0 ttm -60.14 -57.71 11.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.606 HD22 ' HB2' ' A' ' 125' ' ' ASN . 62.1 mt -63.49 -55.32 24.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.514 ' CG ' ' HE3' ' A' ' 92' ' ' MET . 0.7 OUTLIER -119.63 96.99 49.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.673 0.749 . . . . 0.0 110.883 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.6 Cg_endo -69.76 140.47 42.77 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.713 2.276 . . . . 0.0 112.325 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.52 27.46 71.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.2 m -116.08 -36.14 4.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.815 0.34 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.6 p -115.96 150.7 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -105.05 96.75 6.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 68' ' ' VAL . 5.1 mp -65.23 -40.34 93.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -43.35 -43.3 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.446 ' O ' ' NE2' ' A' ' 80' ' ' HIS . 12.5 mttp -77.96 -22.86 48.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 65' ' ' LEU . 64.5 t -68.33 135.92 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.444 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 28.7 mttm -99.44 106.81 18.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -77.72 -37.85 48.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -92.71 42.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.17 119.58 12.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -116.85 -39.6 3.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.3 mt -82.71 162.19 21.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.477 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 52.1 tt0 -58.3 -62.42 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.437 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.1 p80 -44.01 -41.36 5.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.437 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 23.6 mt-10 -56.46 -36.27 68.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.477 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.9 m-85 -61.7 -40.64 95.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.686 HG13 HG11 ' A' ' 104' ' ' VAL . 5.2 mp -73.66 -40.75 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.446 ' NE2' ' O ' ' A' ' 67' ' ' LYS . 43.6 t60 -43.26 -67.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 47' ' ' SER . 17.7 p30 -47.3 -39.38 14.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.575 ' CD2' HG13 ' A' ' 100' ' ' VAL . 6.8 m-85 -64.9 -38.67 91.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.5 mttp -50.64 -70.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.7 p -50.55 -38.2 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.9 tp -62.28 -43.48 98.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.438 ' HA ' HD12 ' A' ' 98' ' ' ILE . 7.8 mm-40 -51.17 -38.64 53.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.28 -47.04 86.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.26 -38.57 63.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -69.71 -45.81 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -85.26 2.88 42.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.54 -36.65 14.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.924 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 8.7 ptp -95.29 -41.13 9.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.77 39.25 0.4 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.478 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.531 HG12 ' H ' ' A' ' 96' ' ' LYS . 97.7 t -76.78 126.41 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 111.193 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -88.4 38.78 0.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.531 ' H ' HG12 ' A' ' 94' ' ' VAL . 27.1 tptt -132.28 115.15 15.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 82.7 mt -77.44 146.48 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.15 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' A' ' 86' ' ' GLN . 60.7 mt -103.37 97.29 9.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.598 0.713 . . . . 0.0 111.149 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 81.57 0.81 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.645 2.23 . . . . 0.0 112.318 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.575 HG13 ' CD2' ' A' ' 82' ' ' PHE . 59.3 t -70.06 -62.79 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 100' ' ' VAL . 3.9 mt-10 -34.47 -32.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 100' ' ' VAL . 15.5 mttm -94.01 -52.94 4.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 15.2 mt -48.17 -50.46 28.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.686 HG11 HG13 ' A' ' 79' ' ' ILE . 28.4 m -48.35 -29.13 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 51.3 mmtt -63.72 -34.03 76.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.22 30.87 18.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.18 107.97 2.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.808 0.337 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.69 ' CE2' ' CZ ' ' A' ' 112' ' ' PHE . 2.7 t80 -45.59 -29.6 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.27 -74.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.944 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -47.74 -24.82 1.04 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.402 ' O ' HG22 ' A' ' 115' ' ' ILE . 2.1 m-80 -76.43 -46.26 27.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.69 ' CZ ' ' CE2' ' A' ' 108' ' ' PHE . 2.0 m-85 -49.62 -50.08 44.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.56 -54.6 45.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -46.96 -70.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.58 HD13 HD13 ' A' ' 45' ' ' LEU . 5.1 tp -55.43 -43.34 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.483 ' N ' HG23 ' A' ' 115' ' ' ILE . 2.9 tp60 -46.14 -41.95 13.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -83.95 -27.44 28.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.54 -20.98 66.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.567 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 7.3 tptm -72.55 -64.87 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -57.97 -37.22 73.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -63.19 -32.37 73.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -67.52 -32.63 73.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -77.23 -36.94 54.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.82 -35.08 68.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.606 ' HB2' HD22 ' A' ' 58' ' ' LEU . 1.6 m120 -95.63 -49.16 5.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -52.66 123.71 11.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -104.4 -49.19 3.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 157.9 53.22 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -125.01 117.66 24.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.352 . . . . 0.0 110.83 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -56.42 151.48 13.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.424 ' CB ' ' HG3' ' A' ' 57' ' ' MET . 88.5 t80 -135.58 146.75 48.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 5.5 m120 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.889 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.832 0.348 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 24' ' ' ARG . 3.0 m . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 23' ' ' SER . 13.7 mtm180 -34.17 -58.13 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -49.27 -70.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 29' ' ' ALA . 11.8 m-20 -45.86 -60.37 2.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.638 ' SD ' HG23 ' A' ' 115' ' ' ILE . 4.5 mmt -39.13 -42.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.583 HD11 ' HA ' ' A' ' 41' ' ' LYS . 71.2 mt -82.26 -28.58 31.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -67.02 -50.54 61.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.478 ' CD2' ' HG2' ' A' ' 119' ' ' LYS . 27.9 t90 -50.45 -40.61 51.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.55 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 21.4 t -78.1 -44.85 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -60.38 -13.67 14.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -113.7 -22.14 10.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 m -67.03 -68.41 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.484 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -107.25 21.96 16.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 62.93 54.68 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.484 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 3.9 mm? -90.9 163.67 14.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -130.34 35.68 4.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.454 ' CE2' HD12 ' A' ' 37' ' ' LEU . 27.3 m-85 -71.21 126.96 31.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.504 ' H ' ' NE2' ' A' ' 44' ' ' GLN . 2.7 m -95.26 -4.92 44.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.583 ' HA ' HD11 ' A' ' 28' ' ' LEU . 77.9 mttt -155.59 143.62 19.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.568 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 12.3 mm -54.69 -39.51 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -52.7 -29.92 29.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.504 ' NE2' ' H ' ' A' ' 40' ' ' THR . 26.9 mt-30 -60.51 -33.83 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.611 HD13 HD13 ' A' ' 115' ' ' ILE . 30.8 mt -59.05 -28.65 66.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 47' ' ' SER . 1.7 p -40.78 -41.26 1.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 46' ' ' CYS . 88.1 p -34.43 -41.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 95.8 -41.83 2.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.52 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -35.19 -56.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.07 -64.07 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -43.58 -33.5 1.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.0 m -70.54 -53.56 15.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.473 ' HA ' HD11 ' A' ' 65' ' ' LEU . 61.9 tt0 -56.5 -25.96 52.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.55 ' CZ ' HG13 ' A' ' 31' ' ' VAL . 22.1 m-85 -69.46 -45.83 68.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 78.2 mmm -55.45 -33.09 63.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -66.95 -43.75 82.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.5 ttm -63.59 -61.69 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.99 -65.06 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -115.38 95.83 44.0 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.66 0.743 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 148.17 64.43 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.359 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.05 4.63 78.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.462 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 32.9 m -99.09 -32.2 11.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.9 p -121.38 150.74 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.416 ' O ' HG23 ' A' ' 68' ' ' VAL . 5.0 t-160 -109.5 111.65 23.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' ' 53' ' ' GLN . 0.7 OUTLIER -76.54 -25.29 53.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -57.87 -38.02 74.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.21 -11.89 57.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 64' ' ' HIS . 57.8 t -79.08 126.48 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -94.6 93.48 7.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.905 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -68.36 -14.14 62.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -106.4 21.26 17.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 77' ' ' GLU . . . -58.84 116.27 3.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -114.48 -29.93 6.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.7 mt -83.3 167.47 17.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -68.71 -53.87 19.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -55.95 -23.9 34.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.587 ' HB3' ' HB1' ' A' ' 72' ' ' ALA . 11.7 mt-10 -70.95 -22.05 62.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.0 m-30 -75.22 -39.2 60.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.549 ' H ' HD12 ' A' ' 79' ' ' ILE . 4.4 mp -68.13 -43.22 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.154 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -50.53 -56.78 10.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -53.05 -32.14 45.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.617 ' CD2' HG13 ' A' ' 100' ' ' VAL . 17.2 m-85 -75.03 -38.67 61.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -49.24 -57.79 6.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.9 p -60.84 -34.01 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.8 -47.02 82.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.47 ' HA ' HD12 ' A' ' 98' ' ' ILE . 10.5 mm-40 -51.83 -36.3 47.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.08 96.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.076 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.53 -22.9 62.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -78.15 -53.1 7.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -65.54 -36.27 83.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -43.87 -50.25 8.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 3.0 ptm -87.65 -46.85 9.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.19 39.82 0.33 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.506 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.671 HG12 ' H ' ' A' ' 96' ' ' LYS . 79.6 t -69.2 122.33 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 111.123 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -87.46 31.82 0.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.671 ' H ' HG12 ' A' ' 94' ' ' VAL . 13.7 tptm -121.99 105.34 10.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 42.3 mm -63.83 144.91 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.187 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 86' ' ' GLN . 59.7 mt -104.0 98.73 14.27 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 111.074 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 82.22 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.388 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.617 HG13 ' CD2' ' A' ' 82' ' ' PHE . 57.9 t -70.99 -63.37 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -41.56 -23.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 100' ' ' VAL . 14.2 mttt -98.43 -43.22 6.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.4 -48.67 80.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.538 HG11 HG13 ' A' ' 79' ' ' ILE . 10.9 m -55.24 -18.74 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -11.5 60.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 63.58 19.96 63.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.468 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -63.64 103.69 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.568 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 2.0 t80 -40.98 -29.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -78.15 -72.23 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -45.88 -21.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -81.1 -48.98 11.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.485 ' CE1' HG13 ' A' ' 42' ' ' ILE . 5.1 m-85 -46.95 -47.27 21.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -53.56 -48.39 69.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -63.49 -69.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.638 HG23 ' SD ' ' A' ' 27' ' ' MET . 9.0 tp -49.04 -30.37 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.407 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 8.1 tp60 -63.32 -62.93 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.496 ' HA ' ' CD ' ' A' ' 120' ' ' LYS . 3.4 t90 -69.07 -16.07 63.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -69.75 -30.21 67.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.478 ' HG2' ' CD2' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -74.36 -51.2 15.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.496 ' CD ' ' HA ' ' A' ' 117' ' ' TRP . 3.8 ptmt -61.94 -35.83 79.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -73.99 -23.14 59.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -71.3 -40.01 71.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -81.99 -30.01 31.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.37 -13.6 14.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -125.63 -45.07 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.489 ' CE1' ' HG2' ' A' ' 129' ' ' LYS . 85.1 t80 -52.65 109.57 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -100.86 39.85 1.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.488 ' HA2' ' CE2' ' A' ' 126' ' ' TYR . . . 65.71 61.42 5.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.489 ' HG2' ' CE1' ' A' ' 126' ' ' TYR . 0.1 OUTLIER -114.42 106.15 13.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 110.894 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -47.34 142.43 4.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -154.26 130.74 10.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.628 0.728 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.785 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.884 0.373 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.401 HG23 HD22 ' A' ' 125' ' ' ASN . 93.3 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -47.66 -45.79 28.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -58.5 -69.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 29' ' ' ALA . 11.4 m-20 -52.1 -61.44 2.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.554 ' SD ' HG23 ' A' ' 115' ' ' ILE . 4.5 mmt -37.16 -43.36 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.431 ' O ' ' ND2' ' A' ' 32' ' ' ASN . 31.4 mt -78.95 -38.66 36.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -58.32 -42.81 87.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.565 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 4.5 t90 -57.99 -55.37 35.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.406 ' CG2' HD11 ' A' ' 115' ' ' ILE . 62.9 t -66.4 -34.85 72.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 28' ' ' LEU . 2.0 m-80 -62.72 -20.93 65.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -104.95 -31.45 9.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.4 m -54.87 -66.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.551 HD11 ' CD2' ' A' ' 54' ' ' PHE . 0.8 OUTLIER -111.49 18.47 19.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 64.1 52.28 2.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.0 mm? -83.36 166.42 18.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -135.02 38.9 2.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.428 ' HB2' HD22 ' A' ' 28' ' ' LEU . 22.7 m-85 -80.45 124.58 29.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.1 p -90.86 -12.08 37.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -140.5 144.26 35.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.564 HG13 ' CE1' ' A' ' 112' ' ' PHE . 6.4 mm -61.21 -33.06 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -59.48 -33.0 70.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -53.19 -46.09 68.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.9 mt -43.8 -28.51 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 47' ' ' SER . 17.3 p -42.57 -37.66 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.45 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 2.5 p -34.37 -40.61 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 96.28 -46.99 1.8 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.26 -57.23 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.819 0.343 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.8 -64.57 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -43.01 -38.36 2.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.0 m -66.18 -56.81 9.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -48.23 -25.36 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.551 ' CD2' HD11 ' A' ' 35' ' ' LEU . 10.4 m-85 -72.3 -46.89 53.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 59.4 mmm -51.47 -39.7 58.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -60.09 -52.02 67.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.47 ' HG3' ' CB ' ' A' ' 131' ' ' TYR . 5.2 ttm -58.37 -56.04 27.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.58 -64.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 4.0 m-85 -114.84 99.91 52.68 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.699 0.761 . . . . 0.0 110.866 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.0 Cg_endo -69.8 143.21 49.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.31 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.08 18.89 78.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.452 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.8 m -108.45 -35.63 6.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.357 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.1 p -116.3 155.77 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.415 ' O ' HG23 ' A' ' 68' ' ' VAL . 2.3 t-160 -114.78 96.84 5.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.2 mp -65.12 -30.08 70.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.26 -43.26 67.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.432 ' O ' ' NE2' ' A' ' 80' ' ' HIS . 15.2 mttt -80.46 -19.89 45.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 64' ' ' HIS . 54.6 t -68.94 131.34 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -98.02 102.4 14.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -75.39 -37.18 60.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -87.58 36.24 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.01 130.6 43.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.063 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -129.2 -35.77 1.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 49.9 mt -78.13 171.06 15.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.563 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 14.5 tt0 -71.85 -60.6 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -48.58 -33.42 9.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -64.84 -33.23 75.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.563 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 23.2 m-85 -62.25 -28.13 69.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.551 HG13 HG11 ' A' ' 104' ' ' VAL . 3.9 mp -81.09 -38.83 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.152 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.432 ' NE2' ' O ' ' A' ' 67' ' ' LYS . 38.6 t60 -46.22 -65.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 47' ' ' SER . 7.9 p30 -50.84 -28.75 10.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.655 ' CD2' HG13 ' A' ' 100' ' ' VAL . 2.8 m-85 -78.34 -33.82 48.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -57.29 -66.47 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.4 p -55.16 -32.0 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.7 tp -64.49 -49.25 72.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -48.11 -41.38 26.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.99 -41.9 71.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.57 -34.93 71.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.477 ' CD2' HG11 ' A' ' 94' ' ' VAL . 3.3 m-85 -64.97 -55.46 18.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' MET . 0.4 OUTLIER -64.56 -41.09 96.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 90' ' ' LYS . 28.5 mttp -34.11 -35.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.785 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 8.7 ptp -111.31 -38.88 4.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 121.46 35.56 0.79 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.445 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.725 HG12 ' H ' ' A' ' 96' ' ' LYS . 40.6 t -54.05 122.58 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 111.11 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -83.48 36.65 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.725 ' H ' HG12 ' A' ' 94' ' ' VAL . 14.8 tptt -135.2 117.39 15.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 37.7 mm -77.41 143.76 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.45 HD11 ' CE1' ' A' ' 89' ' ' PHE . 38.4 mt -103.26 97.29 9.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 111.187 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 79.31 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.69 ' O ' HG22 ' A' ' 104' ' ' VAL . 66.1 t -66.63 -63.27 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 100' ' ' VAL . 5.2 mm-40 -36.06 -37.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -87.57 -43.07 12.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.7 mt -59.3 -56.12 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 100' ' ' VAL . 13.2 m -42.86 -48.05 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 104' ' ' VAL . 6.8 mmpt? -32.83 -40.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.86 29.62 12.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -72.76 172.08 11.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.482 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 1.4 t80 -100.69 -30.45 11.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -73.45 -71.06 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -49.45 -24.1 1.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -77.1 -45.39 27.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.564 ' CE1' HG13 ' A' ' 42' ' ' ILE . 3.4 m-85 -51.03 -60.8 2.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -44.35 -63.77 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -39.28 -70.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.554 HG23 ' SD ' ' A' ' 27' ' ' MET . 8.8 tp -52.68 -33.94 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.183 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.445 ' OE1' ' C ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -56.98 -60.9 2.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.563 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 3.6 t90 -68.18 -28.77 67.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -59.17 -26.46 64.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.565 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 22.6 tptp -65.3 -66.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -55.5 -48.22 74.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -56.42 -33.39 65.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.558 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 0.5 OUTLIER -72.22 -41.62 66.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -72.6 -34.9 67.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -54.48 -35.78 63.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.401 HD22 HG23 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -100.84 -48.16 4.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.508 ' CZ ' ' HA2' ' A' ' 128' ' ' GLY . 18.6 t80 -41.89 133.61 2.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -131.41 41.83 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.508 ' HA2' ' CZ ' ' A' ' 126' ' ' TYR . . . 45.07 67.8 1.1 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.495 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 130' ' ' ASP . 2.5 mtmp? -98.61 19.8 14.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 129' ' ' LYS . 2.0 t70 34.2 41.27 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.47 ' CB ' ' HG3' ' A' ' 57' ' ' MET . 78.1 t80 -51.38 151.94 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.6 m120 . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.639 0.733 . . . . 0.0 110.916 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.717 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.832 0.349 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.0 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 24' ' ' ARG . 8.1 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.872 0.367 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 23' ' ' SER . 16.1 ttt180 -33.97 -49.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -50.35 -70.42 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -52.87 -52.61 56.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.2 mmt -46.72 -42.33 16.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.3 mt -81.01 -31.01 34.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.93 -33.42 74.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.542 ' CD1' ' HE3' ' A' ' 119' ' ' LYS . 14.4 t90 -64.18 -42.02 96.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.3 t -81.69 -41.84 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.17 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -60.86 -17.49 50.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.97 -43.81 4.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 m -53.5 -67.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.604 HD22 ' HG2' ' A' ' 53' ' ' GLN . 11.2 mt -98.74 15.07 26.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 58.01 54.03 6.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.541 HD23 ' HB2' ' A' ' 35' ' ' LEU . 2.3 mm? -87.29 170.83 11.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -132.91 37.79 3.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -78.53 122.65 26.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.536 HG23 ' HG3' ' A' ' 41' ' ' LYS . 12.2 t -93.23 -9.18 40.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.536 ' HG3' HG23 ' A' ' 40' ' ' THR . 9.0 mtmp? -147.04 137.55 23.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.523 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 3.3 mm -54.17 -46.01 67.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.135 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -44.66 -32.31 1.44 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' CYS . 25.5 mt-30 -57.99 -46.35 85.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.1 mt -40.04 -27.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 47' ' ' SER . 31.7 p -43.1 -39.06 2.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 46' ' ' CYS . 3.2 t -33.85 -44.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 100.41 -50.17 1.08 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -33.75 -56.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.71 -60.69 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -50.3 -37.96 39.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 11.2 m -67.64 -51.41 50.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.604 ' HG2' HD22 ' A' ' 35' ' ' LEU . 30.1 tt0 -54.22 -25.65 24.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.475 ' CG ' HD11 ' A' ' 35' ' ' LEU . 8.8 m-85 -73.29 -45.16 57.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 46.3 mmm -47.66 -42.85 25.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -65.73 -39.11 90.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.838 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.481 ' SD ' ' CB ' ' A' ' 131' ' ' TYR . 6.8 tpp -56.37 -58.73 6.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.563 HD11 ' HA ' ' A' ' 122' ' ' PHE . 74.5 mt -73.72 -62.44 1.49 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.412 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 2.0 m-85 -103.07 96.01 7.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.656 0.741 . . . . 0.0 110.919 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.5 Cg_endo -69.77 142.87 49.06 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.245 . . . . 0.0 112.324 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.28 19.64 72.52 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 23.6 m -104.07 -35.99 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.2 p -116.37 152.88 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.518 ' CD2' ' HB2' ' A' ' 66' ' ' ARG . 2.9 t-160 -106.77 99.46 9.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 mp -66.04 -36.87 84.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.518 ' HB2' ' CD2' ' A' ' 64' ' ' HIS . 11.4 mmm180 -47.72 -42.79 26.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.856 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -76.89 -23.04 52.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 49' ' ' ALA . 71.8 t -70.56 130.85 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.415 ' HE2' ' CD2' ' A' ' 80' ' ' HIS . 32.2 mttm -99.57 105.27 17.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -74.2 -43.78 55.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -82.8 40.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.96 121.31 20.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -117.35 -37.79 3.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.5 mt -79.74 166.48 21.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.949 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.452 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 41.7 tt0 -65.53 -62.75 1.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.4 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.2 p80 -43.73 -39.25 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.4 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 26.4 mt-10 -56.32 -38.23 71.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.452 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.7 m-85 -64.14 -40.5 96.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.539 HG13 HG11 ' A' ' 104' ' ' VAL . 3.7 mp -65.07 -49.1 81.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.415 ' CD2' ' HE2' ' A' ' 69' ' ' LYS . 55.9 t60 -48.48 -60.17 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -46.97 -33.77 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.546 ' CD2' HG13 ' A' ' 100' ' ' VAL . 13.3 m-85 -75.49 -42.04 53.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.7 mttp -44.53 -62.07 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.6 p -55.51 -39.11 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.1 tp -60.25 -47.8 84.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -51.24 -36.27 41.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.26 89.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.85 -34.23 76.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.475 ' CG ' HD11 ' A' ' 98' ' ' ILE . 3.5 m-85 -62.92 -44.61 95.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 91' ' ' LYS . 50.7 mmtt -74.04 -38.86 63.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 90' ' ' LYS . 12.1 mtpp -34.7 -40.44 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.717 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 16.6 ptp -102.18 -43.81 5.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.96 29.26 0.88 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.631 HG12 ' H ' ' A' ' 96' ' ' LYS . 83.6 t -54.4 120.58 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.126 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -86.99 36.7 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.631 ' H ' HG12 ' A' ' 94' ' ' VAL . 16.3 tptt -124.93 98.27 5.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.401 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 34.3 mm -59.57 138.72 20.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.475 HD11 ' CG ' ' A' ' 89' ' ' PHE . 60.0 mt -100.19 99.85 10.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.646 0.736 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 97' ' ' ILE . 53.4 Cg_endo -69.82 82.64 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.737 ' O ' HG22 ' A' ' 104' ' ' VAL . 66.7 t -72.57 -53.53 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -46.09 -24.63 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -99.62 -53.72 3.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 23.2 mt -49.42 -54.91 15.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.737 HG22 ' O ' ' A' ' 100' ' ' VAL . 33.1 m -45.36 -41.45 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.439 ' N ' HG23 ' A' ' 104' ' ' VAL . 5.4 mmmm -51.36 -35.38 38.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.03 36.1 6.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -73.91 107.46 6.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.646 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 5.1 t80 -47.36 -30.73 3.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -75.95 -71.19 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -48.84 -19.64 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -80.9 -50.29 9.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.646 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 1.9 m-85 -45.77 -47.86 15.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -56.2 -58.92 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -46.54 -70.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.504 HG23 ' N ' ' A' ' 116' ' ' GLN . 8.8 tp -51.71 -44.55 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.128 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.504 ' N ' HG23 ' A' ' 115' ' ' ILE . 18.3 tp60 -49.58 -49.04 48.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.506 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 8.1 t90 -73.59 -42.25 61.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -52.91 -18.45 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.542 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 10.2 tptm -66.95 -58.03 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.434 ' HD3' ' HA ' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -71.93 -32.14 67.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.566 ' HE1' ' HB1' ' A' ' 9' ' ' ALA . 43.1 t80 -65.23 -24.08 67.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.563 ' HA ' HD11 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -79.85 -44.77 19.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -70.0 -36.61 75.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -49.5 -37.36 26.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 126' ' ' TYR . 3.1 m-80 -101.02 -41.89 6.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.468 ' CZ ' ' HA2' ' A' ' 128' ' ' GLY . 69.9 t80 -35.19 128.87 0.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -123.28 36.33 4.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.468 ' HA2' ' CZ ' ' A' ' 126' ' ' TYR . . . 53.65 86.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.19 166.74 23.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.07 132.22 45.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.481 ' CB ' ' SD ' ' A' ' 57' ' ' MET . 62.5 t80 -139.56 147.33 41.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 121.623 0.725 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.874 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.798 0.332 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.493 HG23 HD22 ' A' ' 125' ' ' ASN . 22.0 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 24' ' ' ARG . 4.8 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.907 0.384 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 23' ' ' SER . 8.7 ptt-85 -34.63 -50.34 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -57.98 -72.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -41.8 -52.93 3.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.698 ' SD ' HG23 ' A' ' 115' ' ' ILE . 0.7 OUTLIER -45.41 -46.56 13.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.426 ' O ' ' ND2' ' A' ' 32' ' ' ASN . 85.9 mt -76.77 -33.15 58.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.19 -37.67 86.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.527 ' CD2' ' HG2' ' A' ' 119' ' ' LYS . 24.2 t90 -62.34 -49.88 73.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.1 t -71.66 -37.33 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.187 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 28' ' ' LEU . 1.6 m-80 -58.25 -21.33 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -104.92 -36.01 7.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.7 m -49.18 -67.19 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.468 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 1.7 mt -110.49 19.14 19.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 62.66 50.83 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.4 mm? -79.99 168.35 19.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -132.99 32.48 3.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -72.04 138.7 48.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.442 ' C ' ' HG3' ' A' ' 41' ' ' LYS . 2.4 m -111.88 2.53 17.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.442 ' HG3' ' C ' ' A' ' 40' ' ' THR . 2.4 mtpp -153.88 147.92 25.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.51 HD11 ' HB2' ' A' ' 27' ' ' MET . 2.8 mm -69.15 -27.87 36.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.51 ' OE1' ' CE1' ' A' ' 108' ' ' PHE . 1.6 pm0 -65.87 -32.46 73.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.834 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 46' ' ' CYS . 24.6 mt-30 -57.11 -48.2 79.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.508 HD13 HD13 ' A' ' 115' ' ' ILE . 12.4 mt -40.88 -25.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' GLN . 23.5 p -42.45 -36.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 46' ' ' CYS . 24.1 p -34.92 -45.25 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 97.25 -45.63 1.76 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.434 ' HA ' ' CG1' ' A' ' 68' ' ' VAL . . . -37.18 -62.43 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.787 0.327 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.79 -58.68 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -46.49 -36.57 6.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.5 m -68.94 -49.12 60.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -53.81 -23.14 11.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.464 ' CD2' HD11 ' A' ' 35' ' ' LEU . 12.6 m-85 -75.28 -47.57 27.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.8 mmm -51.85 -34.31 40.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -67.83 -42.54 81.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.0 ttm -59.62 -63.24 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.788 HD22 ' HB2' ' A' ' 125' ' ' ASN . 20.0 mt -59.75 -66.5 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.422 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 4.0 m-85 -104.88 100.53 24.42 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.655 0.74 . . . . 0.0 110.888 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.75 142.21 47.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.331 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.77 28.92 74.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 87.3 m -112.04 -38.74 4.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.497 HG13 HD13 ' A' ' 65' ' ' LEU . 5.9 p -113.35 147.33 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.564 ' CD2' ' HB2' ' A' ' 66' ' ' ARG . 3.1 t-160 -102.96 96.99 7.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.497 HD13 HG13 ' A' ' 63' ' ' VAL . 2.1 mp -66.44 -35.39 80.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.564 ' HB2' ' CD2' ' A' ' 64' ' ' HIS . 11.2 mpt_? -48.6 -43.12 35.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -76.77 -21.0 55.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.434 ' CG1' ' HA ' ' A' ' 49' ' ' ALA . 78.2 t -73.75 132.75 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -101.42 107.4 18.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -76.77 -41.31 45.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -84.15 38.01 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.46 132.67 43.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -127.51 -33.43 2.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 79.8 mt -80.61 160.28 25.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.569 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 17.8 tt0 -61.7 -62.92 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.44 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.8 p80 -41.73 -42.17 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.44 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 23.3 mt-10 -55.75 -39.37 71.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 18.8 m-85 -56.93 -39.28 74.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.956 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.606 HG13 HG11 ' A' ' 104' ' ' VAL . 4.1 mp -71.83 -50.41 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -42.96 -60.6 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -49.27 -36.8 21.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.55 ' CD2' HG13 ' A' ' 100' ' ' VAL . 7.2 m-85 -73.62 -34.99 65.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -51.66 -63.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.3 p -54.69 -35.31 32.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.85 -51.6 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -46.57 -30.54 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.72 -46.85 83.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.24 -17.11 62.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -85.5 -44.69 12.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -77.59 -31.51 53.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 92' ' ' MET . 1.1 ptmt -42.61 -40.5 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.874 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 5.0 ptp -101.18 -41.58 6.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.58 27.23 1.08 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.585 HG12 ' H ' ' A' ' 96' ' ' LYS . 47.7 t -54.78 119.63 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.164 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.05 30.15 0.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.585 ' H ' HG12 ' A' ' 94' ' ' VAL . 2.9 tmtm? -113.4 91.68 3.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.401 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 93.4 mt -57.87 134.7 22.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 67.7 mt -98.49 101.75 12.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.639 0.733 . . . . 0.0 111.139 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 97' ' ' ILE . 53.7 Cg_endo -69.79 81.34 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.322 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.55 HG13 ' CD2' ' A' ' 82' ' ' PHE . 58.4 t -72.99 -60.98 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 100' ' ' VAL . 1.9 mt-10 -36.84 -29.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 100' ' ' VAL . 17.3 mttm -97.85 -56.08 2.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.7 mt -43.56 -51.27 6.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.606 HG11 HG13 ' A' ' 79' ' ' ILE . 33.1 m -51.62 -46.34 37.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.542 ' N ' HG23 ' A' ' 104' ' ' VAL . 1.1 mmmp? -36.29 -32.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 104' ' ' VAL . . . 82.11 36.69 17.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.437 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.4 mmtm -78.07 179.16 6.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.353 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.603 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 4.3 t80 -110.63 -17.67 13.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.501 ' C ' ' CD ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -86.69 -72.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.31 -23.51 1.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -78.28 -34.03 49.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.603 ' CD2' ' O ' ' A' ' 108' ' ' PHE . 2.0 m-85 -62.8 -56.56 16.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -51.49 -37.24 48.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -66.71 -69.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.698 HG23 ' SD ' ' A' ' 27' ' ' MET . 9.9 tp -56.77 -23.62 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -64.59 -52.01 59.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.574 ' CH2' ' HG3' ' A' ' 96' ' ' LYS . 8.5 t90 -76.15 -42.45 46.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -41.35 -49.16 3.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.527 ' HG2' ' CD2' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -46.93 -47.94 21.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -66.23 -53.49 36.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.599 ' CE2' ' OD1' ' A' ' 125' ' ' ASN . 68.0 t80 -47.12 -30.99 3.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.38 -42.24 79.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.84 -27.86 58.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.409 ' HB1' HG11 ' A' ' 10' ' ' VAL . . . -67.37 -38.9 85.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.788 ' HB2' HD22 ' A' ' 58' ' ' LEU . 1.6 m120 -90.53 -53.23 4.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.511 ' CE2' ' HA2' ' A' ' 128' ' ' GLY . 62.6 t80 -42.44 122.3 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -117.03 33.61 5.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.511 ' HA2' ' CE2' ' A' ' 126' ' ' TYR . . . 69.8 74.8 0.62 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.451 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -138.43 129.4 26.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -68.87 122.71 19.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -129.92 139.15 51.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 7.3 m120 . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.62 0.724 . . . . 0.0 110.933 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.8 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.816 0.341 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.9 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.168 179.937 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 24' ' ' ARG . 2.2 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.85 0.357 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 23' ' ' SER . 9.7 mtm-85 -33.92 -68.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.816 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 24' ' ' ARG . 46.4 t60 -36.28 -69.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 29' ' ' ALA . 1.1 m-20 -50.91 -64.4 0.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.445 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 3.7 mmt -34.65 -47.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.409 HD11 ' CA ' ' A' ' 41' ' ' LYS . 20.1 mt -75.63 -37.36 59.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -60.1 -40.53 89.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.098 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.56 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 30.0 t90 -56.52 -46.09 80.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.505 HG11 HD21 ' A' ' 45' ' ' LEU . 33.8 t -75.16 -45.84 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.145 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -60.51 -11.12 6.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -115.45 -29.94 6.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.1 m -60.96 -52.84 63.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.586 HD22 ' HG2' ' A' ' 53' ' ' GLN . 0.8 OUTLIER -123.8 18.22 9.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 62.97 53.88 2.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.495 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.5 mm? -86.09 158.76 19.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -118.71 39.63 3.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.575 ' HE2' ' HB2' ' A' ' 50' ' ' ALA . 29.8 m-85 -85.97 118.16 25.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 40' ' ' THR . 28.9 m -93.11 -8.38 42.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.409 ' CA ' HD11 ' A' ' 28' ' ' LEU . 41.1 mtpt -142.23 128.85 20.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.533 HG13 ' CE1' ' A' ' 112' ' ' PHE . 4.6 mm -46.14 -45.44 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -49.6 -35.26 20.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.41 ' C ' ' N ' ' A' ' 46' ' ' CYS . 13.1 mm-40 -51.17 -48.4 61.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.541 HD13 HD13 ' A' ' 115' ' ' ILE . 18.0 mt -43.56 -23.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 47' ' ' SER . 30.3 p -42.87 -38.94 2.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.502 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 42.5 m -34.39 -48.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.09 -38.77 3.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 69' ' ' LYS . . . -43.44 -60.0 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.32 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.575 ' HB2' ' HE2' ' A' ' 39' ' ' TYR . . . -39.87 -60.12 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 45' ' ' LEU . 18.1 m-85 -51.43 -39.32 57.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.416 ' O ' HG11 ' A' ' 63' ' ' VAL . 32.9 m -66.21 -46.96 75.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.586 ' HG2' HD22 ' A' ' 35' ' ' LEU . 37.8 tt0 -58.09 -22.49 50.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.493 ' CD2' HD11 ' A' ' 35' ' ' LEU . 11.0 m-85 -78.09 -45.86 22.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 54.7 mmm -50.06 -37.19 32.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -69.89 -37.6 76.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.482 ' HA ' ' CD2' ' A' ' 131' ' ' TYR . 2.2 ttm -66.47 -57.09 8.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.526 HD21 ' CD1' ' A' ' 122' ' ' PHE . 16.3 mt -61.23 -60.72 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' A' ' 62' ' ' CYS . 5.6 m-85 -113.76 110.83 49.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.617 0.722 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 138.09 36.97 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.65 2.233 . . . . 0.0 112.335 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.31 22.49 72.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.768 ' SG ' ' HB1' ' A' ' 88' ' ' ALA . 0.5 OUTLIER -99.91 -37.09 9.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 -179.863 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.416 HG11 ' O ' ' A' ' 52' ' ' CYS . 2.7 p -119.47 161.6 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.527 ' O ' HG23 ' A' ' 68' ' ' VAL . 2.5 t-160 -114.3 104.43 12.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.1 mp -71.33 -32.73 68.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -55.62 -33.86 64.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -93.53 10.53 32.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 64' ' ' HIS . 46.8 t -104.65 140.62 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 2.0 mtpp -97.69 103.52 15.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -74.58 -26.89 60.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -120.13 57.27 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.41 130.47 39.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -118.06 -35.22 3.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.5 mt -86.6 158.85 19.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.576 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 3.0 tp10 -60.47 -59.56 5.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -46.41 -36.21 6.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -61.84 -34.09 75.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.576 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 23.3 m-85 -62.13 -35.65 79.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.957 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.76 HG13 HG11 ' A' ' 104' ' ' VAL . 4.6 mp -79.19 -38.6 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.143 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -44.56 -63.18 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 47' ' ' SER . 13.1 p30 -51.77 -33.83 36.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.481 ' CG ' HG22 ' A' ' 100' ' ' VAL . 9.4 m-85 -72.41 -36.75 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -52.77 -60.42 3.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.0 p -61.14 -30.73 48.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.53 -47.07 77.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -49.86 -33.21 16.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.48 -43.75 89.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.768 ' HB1' ' SG ' ' A' ' 62' ' ' CYS . . . -62.8 -11.62 19.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -91.36 -50.78 5.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -69.48 -35.12 75.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 92' ' ' MET . 0.0 OUTLIER -42.98 -43.78 4.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.851 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.8 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 9.0 ptp -97.07 -35.93 10.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 120.42 21.58 3.32 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.531 HG12 ' H ' ' A' ' 96' ' ' LYS . 77.9 t -46.68 118.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 111.157 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -83.09 35.74 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.554 ' HG2' ' CH2' ' A' ' 117' ' ' TRP . 30.7 tptt -128.72 109.11 11.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.5 mp -74.08 139.88 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 42.6 mt -98.7 102.7 15.64 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.575 0.703 . . . . 0.0 111.15 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 82.66 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.66 ' O ' HG22 ' A' ' 104' ' ' VAL . 95.6 t -72.85 -46.05 54.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -58.41 -24.83 61.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -99.34 -35.18 10.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 20.2 mt -68.51 -49.1 62.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.76 HG11 HG13 ' A' ' 79' ' ' ILE . 34.8 m -52.87 -24.24 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -65.68 -28.28 68.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.17 35.86 25.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -78.75 104.16 9.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.596 ' CE2' ' CZ ' ' A' ' 112' ' ' PHE . 3.2 t80 -40.83 -31.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -75.28 -70.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -48.7 -19.91 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -82.03 -46.69 13.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.596 ' CZ ' ' CE2' ' A' ' 108' ' ' PHE . 2.6 m-85 -48.97 -47.75 43.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -56.19 -49.52 73.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -56.6 -70.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.541 HD13 HD13 ' A' ' 45' ' ' LEU . 7.9 tp -51.3 -40.69 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.428 ' N ' HG23 ' A' ' 115' ' ' ILE . 7.6 tp-100 -51.27 -59.15 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.554 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 8.7 t90 -68.97 -34.09 74.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -55.17 -23.57 22.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.56 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 6.1 tmtm? -76.0 -60.49 2.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.12 -33.16 68.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -69.56 -22.69 63.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.526 ' CD1' HD21 ' A' ' 58' ' ' LEU . 1.3 t80 -76.58 -41.86 44.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -74.6 -28.84 61.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.9 -33.37 75.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -101.93 -49.31 3.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.432 ' CB ' ' O ' ' A' ' 122' ' ' PHE . 77.9 t80 -43.07 110.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.93 -58.54 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 154.4 41.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.446 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -102.85 159.17 15.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -85.05 135.65 33.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.482 ' CD2' ' HA ' ' A' ' 57' ' ' MET . 48.3 t80 -139.6 121.51 15.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.729 . . . . 0.0 110.875 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.817 0.342 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.611 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 74.8 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 24' ' ' ARG . 62.9 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.88 0.371 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 23' ' ' SER . 18.0 ptt-85 -35.77 -37.05 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -61.07 -63.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -61.0 -48.67 80.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.406 ' CB ' HD11 ' A' ' 42' ' ' ILE . 2.2 mmt -49.78 -43.48 48.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.442 HD11 ' HA ' ' A' ' 41' ' ' LYS . 19.7 mt -79.18 -36.94 39.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.2 -38.52 86.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.537 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 16.2 t90 -58.18 -43.48 87.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.458 HG12 HD23 ' A' ' 37' ' ' LEU . 23.5 t -79.34 -38.92 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -66.13 -7.72 19.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -115.32 -36.05 4.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.8 m -57.75 -65.58 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.622 HD13 ' HB3' ' A' ' 53' ' ' GLN . 4.2 mt -105.8 13.52 29.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 63.5 55.02 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.503 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.3 mm? -82.94 166.25 19.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -127.72 31.5 5.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -75.73 127.11 32.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.437 HG23 ' HE2' ' A' ' 41' ' ' LYS . 10.3 t -95.65 -7.41 37.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.106 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.442 ' HA ' HD11 ' A' ' 28' ' ' LEU . 35.9 mtmt -149.88 134.87 17.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.555 HG13 ' CE1' ' A' ' 112' ' ' PHE . 3.4 mm -46.31 -46.92 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -42.62 -41.38 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 46' ' ' CYS . 17.2 mm-40 -47.74 -49.38 28.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.471 HD13 HD13 ' A' ' 115' ' ' ILE . 30.5 mt -40.01 -27.96 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 47' ' ' SER . 32.0 p -42.41 -39.24 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.494 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 43.2 p -34.34 -49.03 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 106.34 -45.99 1.23 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.35 -52.76 1.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.803 0.335 . . . . 0.0 111.086 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.77 -62.11 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -47.5 -41.15 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.8 m -64.01 -55.73 20.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.622 ' HB3' HD13 ' A' ' 35' ' ' LEU . 6.8 tp60 -49.86 -25.83 3.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -73.86 -45.74 49.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.435 ' HB2' HG11 ' A' ' 63' ' ' VAL . 33.0 mmm -53.19 -34.03 55.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -63.93 -50.32 69.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.1 ttp -64.65 -52.51 56.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.775 HD21 ' CD2' ' A' ' 122' ' ' PHE . 75.0 mt -59.66 -60.22 4.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.494 ' CZ ' ' HE1' ' A' ' 92' ' ' MET . 6.8 m-85 -120.71 106.62 39.38 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.635 0.731 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.6 Cg_endo -69.74 142.47 48.11 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.742 2.295 . . . . 0.0 112.332 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.45 26.88 70.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.3 t -113.45 -32.81 6.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.435 HG11 ' HB2' ' A' ' 55' ' ' MET . 4.8 p -123.65 145.73 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.162 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.638 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 2.2 t60 -100.89 126.07 47.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mp -92.47 -32.38 14.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.591 ' HB2' ' CD2' ' A' ' 64' ' ' HIS . 9.2 mtt180 -58.87 -22.79 59.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.638 ' HG3' ' CD2' ' A' ' 64' ' ' HIS . 6.6 mttp -104.08 12.46 33.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 64' ' ' HIS . 24.5 t -102.23 133.98 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.451 ' HG2' ' CD2' ' A' ' 80' ' ' HIS . 38.0 mmtt -92.16 102.83 15.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -81.24 -38.44 26.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -91.78 27.31 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.1 119.07 4.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -115.85 -37.88 3.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.4 mt -84.36 175.81 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.507 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 21.9 tt0 -70.25 -56.33 7.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -53.67 -28.09 31.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.83 -26.69 62.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.507 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 23.1 m-85 -71.03 -25.43 62.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.573 HG13 HG11 ' A' ' 104' ' ' VAL . 5.0 mp -88.14 -44.26 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.451 ' CD2' ' HG2' ' A' ' 69' ' ' LYS . 57.8 t60 -37.14 -52.53 1.01 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 47' ' ' SER . 9.3 p30 -60.6 -36.11 77.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.506 ' CD2' HG13 ' A' ' 100' ' ' VAL . 15.9 m-85 -69.82 -54.13 15.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 82' ' ' PHE . 60.4 mttt -34.15 -61.0 0.38 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.8 p -61.85 -37.53 78.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 82' ' ' PHE . 51.5 tp -60.58 -39.33 87.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.473 ' HA ' HD12 ' A' ' 98' ' ' ILE . 9.5 mm-40 -57.91 -34.33 69.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.63 -38.63 87.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.61 -32.86 73.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -70.27 -48.56 56.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -68.77 -42.91 76.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -38.43 -55.93 1.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.494 ' HE1' ' CZ ' ' A' ' 59' ' ' PHE . 4.9 ptm -77.41 -47.92 18.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 125.4 44.77 0.26 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.423 HG23 ' CG ' ' A' ' 92' ' ' MET . 39.7 t -77.37 128.17 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.366 . . . . 0.0 111.121 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -87.72 37.63 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -126.86 122.78 35.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 93.8 mt -82.45 144.17 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.473 HD12 ' HA ' ' A' ' 86' ' ' GLN . 64.2 mt -103.01 97.63 9.98 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.649 0.738 . . . . 0.0 111.131 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 80.55 0.85 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.701 2.268 . . . . 0.0 112.32 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.506 HG13 ' CD2' ' A' ' 82' ' ' PHE . 58.7 t -69.94 -61.87 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 100' ' ' VAL . 0.9 OUTLIER -36.67 -30.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 100' ' ' VAL . 0.0 OUTLIER -94.83 -52.89 4.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.8 mt -48.97 -47.62 43.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.573 HG11 HG13 ' A' ' 79' ' ' ILE . 34.0 m -51.72 -28.01 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -58.55 -38.14 77.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.63 32.48 18.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 109' ' ' GLN . 29.4 mtmt -75.53 105.28 6.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.794 0.33 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.548 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 1.8 t80 -36.47 -29.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 107' ' ' LYS . 4.8 tp60 -78.53 -70.58 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -44.86 -21.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.633 ' O ' HG22 ' A' ' 115' ' ' ILE . 4.9 m-80 -84.03 -45.16 13.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.555 ' CE1' HG13 ' A' ' 42' ' ' ILE . 3.1 m-85 -50.19 -45.85 53.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -58.25 -51.38 69.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -57.37 -68.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.633 HG22 ' O ' ' A' ' 111' ' ' ASN . 6.3 tp -49.03 -40.23 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.169 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.47 ' CG ' ' O ' ' A' ' 112' ' ' PHE . 1.7 mm-40 -53.38 -60.28 3.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.436 ' CE2' ' HB2' ' A' ' 121' ' ' PHE . 20.7 t90 -65.74 -32.27 73.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -56.81 -28.69 61.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.537 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 20.8 tptt -62.32 -68.97 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.426 ' CE ' ' HA ' ' A' ' 117' ' ' TRP . 21.8 pttt -58.01 -42.23 84.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.436 ' HB2' ' CE2' ' A' ' 117' ' ' TRP . 35.5 t80 -54.7 -30.05 54.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.775 ' CD2' HD21 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -79.19 -28.54 42.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -77.53 -36.09 52.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.25 -23.68 65.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.611 ' ND2' ' H ' ' A' ' 10' ' ' VAL . 1.4 m120 -105.51 -47.53 3.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.735 ' CD2' ' CZ ' ' A' ' 122' ' ' PHE . 31.9 t80 -51.23 135.63 25.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.92 -54.17 2.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 163.42 65.79 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.451 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.07 135.97 46.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -84.02 133.43 34.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.805 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -122.5 140.14 53.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.9 m120 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.721 . . . . 0.0 110.841 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.806 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.83 0.348 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.4 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 25' ' ' HIS . 68.2 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.885 0.374 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.568 ' HA ' HD11 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -37.17 -28.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 23' ' ' SER . 13.4 t-160 -68.8 -64.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.98 -56.85 15.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.603 ' HB2' HD11 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -42.72 -41.16 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.456 HD22 ' CB ' ' A' ' 39' ' ' TYR . 45.0 mt -79.61 -38.59 33.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.47 -37.06 79.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.047 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.539 ' CD2' ' HD2' ' A' ' 119' ' ' LYS . 17.7 t90 -62.22 -42.92 99.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.61 HG12 ' HB2' ' A' ' 37' ' ' LEU . 80.9 t -76.39 -42.04 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 2.0 m-80 -59.31 -14.08 10.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -106.84 -27.64 10.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.1 m -66.02 -60.19 3.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.664 ' C ' ' CD2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -123.55 42.07 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.664 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 6.3 p80 41.17 54.97 3.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.61 ' HB2' HG12 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -84.54 148.81 26.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -112.5 39.56 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.534 ' CE2' ' HG ' ' A' ' 37' ' ' LEU . 20.9 m-85 -78.14 114.02 16.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 44.8 p -95.21 -4.64 45.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -149.58 131.19 14.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.603 HD11 ' HB2' ' A' ' 27' ' ' MET . 11.7 mm -47.52 -35.97 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -57.46 -36.27 71.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 46' ' ' CYS . 22.1 mt-30 -53.84 -46.78 71.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.2 mt -40.67 -25.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' GLN . 30.4 p -44.95 -36.82 3.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.465 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 38.9 m -34.42 -46.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 97.7 -42.83 2.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.528 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -36.24 -62.97 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.084 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.7 -60.88 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -45.66 -40.11 8.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.434 ' HB3' HG21 ' A' ' 68' ' ' VAL . 11.1 m -64.66 -59.17 4.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.606 ' HA ' HD11 ' A' ' 65' ' ' LEU . 46.0 tt0 -52.58 -23.5 6.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -71.7 -49.16 42.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 42.1 mmm -43.19 -42.56 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -64.69 -44.08 91.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.567 ' HA ' ' CE2' ' A' ' 131' ' ' TYR . 8.6 tpp -51.43 -47.96 62.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.523 HD22 ' HB2' ' A' ' 125' ' ' ASN . 19.7 mt -82.67 -61.84 1.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.42 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 1.8 m-85 -109.64 96.53 23.85 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.633 0.73 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.78 142.83 48.9 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.307 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.99 16.71 80.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.4 m -107.07 -34.99 6.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.4 p -116.55 145.92 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.452 ' O ' HG23 ' A' ' 68' ' ' VAL . 4.7 t-160 -100.14 98.96 9.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.606 HD11 ' HA ' ' A' ' 53' ' ' GLN . 2.1 mp -64.45 -39.69 94.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 5.5 mmm180 -47.12 -42.97 20.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -76.01 -26.56 56.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 64' ' ' HIS . 69.6 t -64.3 131.24 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.187 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.474 ' CD ' ' OE1' ' A' ' 77' ' ' GLU . 65.1 mttt -98.87 96.26 7.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -67.25 -37.96 84.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -86.99 43.86 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.63 130.47 35.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -131.85 -36.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.5 mt -78.66 166.82 22.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.496 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 14.0 tt0 -63.0 -62.49 1.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.556 ' CE1' ' HG2' ' A' ' 77' ' ' GLU . 10.1 p80 -45.74 -44.71 13.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.556 ' HG2' ' CE1' ' A' ' 76' ' ' HIS . 13.9 mm-40 -50.7 -36.42 35.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.496 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.5 m-85 -61.81 -41.72 98.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.1 mp -69.92 -55.0 16.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.459 ' CG ' ' HE3' ' A' ' 69' ' ' LYS . 13.5 t60 -37.53 -52.58 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.82 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.77 -44.23 97.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.467 ' CG ' HG22 ' A' ' 100' ' ' VAL . 10.3 m-85 -62.85 -33.35 75.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -54.38 -71.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.6 p -46.63 -39.02 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.4 tp -60.73 -40.27 91.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -51.69 -46.47 63.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.951 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.47 -40.04 64.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.46 -34.85 77.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.452 ' CG ' HD11 ' A' ' 98' ' ' ILE . 2.8 m-85 -68.36 -46.83 69.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 91' ' ' LYS . 37.0 mmtm -69.7 -42.04 74.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 90' ' ' LYS . 12.0 mtpp -34.65 -40.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.806 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 19.2 ptp -100.55 -43.21 6.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.64 21.51 1.77 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.807 HG12 ' H ' ' A' ' 96' ' ' LYS . 86.2 t -44.77 116.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 111.129 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.2 10.26 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.807 ' H ' HG12 ' A' ' 94' ' ' VAL . 13.1 tptm -104.39 98.13 7.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 47.1 mm -61.81 147.33 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.452 HD11 ' CG ' ' A' ' 89' ' ' PHE . 24.1 mt -103.34 100.16 17.27 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.562 0.696 . . . . 0.0 111.175 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 79.24 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.371 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.467 HG22 ' CG ' ' A' ' 82' ' ' PHE . 95.7 t -67.93 -58.83 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -39.45 -38.13 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -87.92 -44.83 10.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 103' ' ' LEU . 13.6 mt -54.92 -54.86 37.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.514 HG23 ' N ' ' A' ' 105' ' ' LYS . 34.1 m -45.0 -45.56 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.514 ' N ' HG23 ' A' ' 104' ' ' VAL . 10.4 mmmm -45.13 -33.93 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.71 39.95 10.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.514 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 109' ' ' GLN . 11.4 mmmt -77.47 106.02 8.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.588 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 1.8 t80 -40.16 -26.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.498 ' C ' ' CD ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -80.53 -72.22 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -48.34 -23.39 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.496 ' HB3' HG22 ' A' ' 42' ' ' ILE . 2.0 m-80 -80.86 -41.28 23.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.588 ' CD2' ' O ' ' A' ' 108' ' ' PHE . 2.3 m-85 -51.23 -56.73 11.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 114' ' ' PHE . 9.1 mt-10 -49.57 -65.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' GLU . 5.8 t80 -34.89 -70.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.431 HG23 ' N ' ' A' ' 116' ' ' GLN . 9.0 tp -54.13 -39.98 44.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.431 ' N ' HG23 ' A' ' 115' ' ' ILE . 10.9 tp60 -53.77 -37.17 63.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.565 ' CZ3' ' HG2' ' A' ' 96' ' ' LYS . 22.9 t90 -86.1 -50.44 7.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -42.73 -24.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.539 ' HD2' ' CD2' ' A' ' 30' ' ' TRP . 14.1 tptm -58.57 -69.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.439 ' HB3' ' NZ ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -59.92 -35.71 75.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.583 ' HE1' ' HB1' ' A' ' 9' ' ' ALA . 42.4 t80 -59.09 -18.96 40.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -89.05 -44.95 10.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -68.85 -37.69 79.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.26 -44.79 53.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.523 ' HB2' HD22 ' A' ' 58' ' ' LEU . 4.3 m-80 -92.1 -45.85 8.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -50.0 122.84 7.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -121.78 41.64 3.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 64.41 78.31 0.21 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.497 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -135.17 115.8 13.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.755 0.312 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -50.47 127.1 16.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.567 ' CE2' ' HA ' ' A' ' 57' ' ' MET . 27.5 t80 -135.37 120.05 18.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.964 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.4 m120 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 110.895 -179.962 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.709 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.773 0.32 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.6 HG23 ' OD1' ' A' ' 125' ' ' ASN . 68.2 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.896 0.379 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -132.14 -67.39 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -50.0 -62.15 1.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -53.17 -43.32 66.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.8 mmt -54.51 -40.38 68.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.3 mt -79.94 -39.38 30.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.25 -47.13 84.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.069 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.538 ' CE2' ' HD2' ' A' ' 119' ' ' LYS . 14.6 t90 -50.98 -45.79 61.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.5 t -74.61 -41.63 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -55.53 -20.55 13.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -103.72 -27.52 12.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.498 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 23.7 m -63.23 -58.0 8.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.656 ' C ' ' CD2' ' A' ' 36' ' ' HIS . 0.8 OUTLIER -124.44 37.01 4.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.656 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 7.0 p80 46.41 54.93 8.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.637 HD12 ' CE2' ' A' ' 39' ' ' TYR . 2.6 mm? -84.05 162.43 20.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -133.93 37.24 3.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.637 ' CE2' HD12 ' A' ' 37' ' ' LEU . 24.0 m-85 -79.8 117.25 20.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.405 ' O ' HG22 ' A' ' 40' ' ' THR . 60.9 m -83.59 -13.6 54.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -143.34 142.52 31.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.581 HG13 ' CE1' ' A' ' 112' ' ' PHE . 14.4 mm -54.27 -40.85 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -52.05 -28.0 15.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -63.3 -44.92 93.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.454 HD13 HD13 ' A' ' 115' ' ' ILE . 14.8 mt -41.94 -28.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 47' ' ' SER . 30.4 p -36.21 -36.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 46' ' ' CYS . 2.8 p -34.46 -41.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 87.85 -46.94 3.49 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -33.65 -55.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.8 -59.85 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -45.9 -40.48 10.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.925 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.405 ' O ' HG11 ' A' ' 63' ' ' VAL . 29.6 m -64.14 -54.33 35.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.549 ' HA ' HD11 ' A' ' 65' ' ' LEU . 25.9 tt0 -53.13 -32.14 45.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.498 ' CE1' ' HB3' ' A' ' 34' ' ' SER . 10.0 m-85 -63.62 -52.3 61.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 65.5 mmm -43.87 -43.3 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -62.15 -48.1 81.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.517 ' HA ' ' CD2' ' A' ' 131' ' ' TYR . 3.4 ttm -57.23 -63.04 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.426 ' CD2' ' HB2' ' A' ' 126' ' ' TYR . 51.6 mt -54.44 -63.56 1.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -113.33 115.87 46.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 138.28 37.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.342 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.1 22.16 70.46 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 31.4 t -95.81 -28.12 14.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.86 0.362 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.405 HG11 ' O ' ' A' ' 52' ' ' CYS . 3.9 p -131.66 162.95 38.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.511 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 3.6 t-160 -113.71 95.36 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.549 HD11 ' HA ' ' A' ' 53' ' ' GLN . 3.9 mp -62.48 -27.16 68.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.511 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 6.6 tpm_? -57.0 -39.26 74.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -83.26 -14.38 53.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.4 t -74.43 131.4 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.566 ' HE3' ' CD2' ' A' ' 80' ' ' HIS . 34.8 mttt -102.73 102.88 13.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -75.46 -38.24 59.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -84.78 37.84 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.48 123.64 24.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -121.47 -36.88 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 77.9 mt -79.6 164.24 23.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.579 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.5 tt0 -63.92 -59.02 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.417 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 2.3 p80 -45.46 -40.37 8.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 12.4 mt-10 -57.36 -35.81 70.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.579 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.1 m-85 -61.4 -40.55 94.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.46 HG13 HG11 ' A' ' 104' ' ' VAL . 4.2 mp -70.17 -46.49 71.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.566 ' CD2' ' HE3' ' A' ' 69' ' ' LYS . 26.5 t60 -45.86 -63.17 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -44.25 -36.2 2.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.819 ' CD2' HG13 ' A' ' 100' ' ' VAL . 13.0 m-85 -75.49 -42.65 52.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -42.8 -57.84 2.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.85 -34.78 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.496 HD23 ' HD1' ' A' ' 82' ' ' PHE . 42.4 tp -62.47 -45.46 92.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.511 ' HA ' HD12 ' A' ' 98' ' ' ILE . 6.7 mm-40 -50.92 -37.22 42.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.87 90.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.18 -15.79 11.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -87.86 -53.81 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -67.93 -33.07 73.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 92' ' ' MET . 0.0 OUTLIER -44.84 -37.43 3.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.709 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 8.8 ptp -102.34 -40.17 6.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.43 22.37 1.2 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.564 HG23 ' HG3' ' A' ' 92' ' ' MET . 27.6 t -60.85 110.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.18 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -83.02 35.49 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.571 ' HE2' ' CE3' ' A' ' 117' ' ' TRP . 2.1 tmtm? -112.33 85.46 2.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 86.2 mt -48.47 136.34 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 86' ' ' GLN . 68.6 mt -103.66 99.41 15.62 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.637 0.732 . . . . 0.0 111.12 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 79.94 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.336 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.819 HG13 ' CD2' ' A' ' 82' ' ' PHE . 41.5 t -69.93 -63.18 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -38.81 -26.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 100' ' ' VAL . 18.4 mttt -96.89 -47.82 5.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 103' ' ' LEU . 21.0 mt -55.58 -46.96 77.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.46 HG11 HG13 ' A' ' 79' ' ' ILE . 25.3 m -55.83 -34.25 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -45.93 -35.51 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 88.15 33.12 11.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -77.31 176.95 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.347 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.594 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 2.5 t80 -106.78 -36.32 6.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.425 ' C ' ' N ' ' A' ' 111' ' ' ASN . 3.7 tp60 -74.7 -70.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -43.43 -22.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.566 ' O ' HG22 ' A' ' 115' ' ' ILE . 2.3 m-80 -84.07 -48.08 10.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.594 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 2.5 m-85 -46.99 -49.69 20.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -56.01 -48.15 76.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.469 ' CE1' ' HE3' ' A' ' 96' ' ' LYS . 8.9 t80 -60.95 -71.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.82 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.566 HG22 ' O ' ' A' ' 111' ' ' ASN . 6.7 tp -49.05 -42.76 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.499 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 1.3 tp60 -52.37 -57.48 9.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.571 ' CE3' ' HE2' ' A' ' 96' ' ' LYS . 16.7 t90 -65.74 -32.35 73.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.401 ' HE2' ' CD2' ' A' ' 54' ' ' PHE . 2.7 t80 -55.74 -33.58 64.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.839 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.538 ' HD2' ' CE2' ' A' ' 30' ' ' TRP . 24.0 tptp -61.13 -71.03 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.19 -39.17 43.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -64.29 -29.85 70.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.523 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -72.56 -41.21 66.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -74.16 -35.4 64.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.41 -36.22 31.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.6 ' OD1' HG23 ' A' ' 10' ' ' VAL . 32.4 m-80 -103.92 -46.55 4.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.426 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 62.6 t80 -52.56 101.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -95.02 40.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 65.41 47.96 73.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.518 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.407 ' NZ ' ' O ' ' A' ' 57' ' ' MET . 12.2 ptmm? -101.19 108.24 19.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -50.35 122.39 6.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.517 ' CD2' ' HA ' ' A' ' 57' ' ' MET . 7.7 t80 -136.54 118.19 14.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.8 m120 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.654 0.74 . . . . 0.0 110.888 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -50.18 -57.31 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.883 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 m -55.88 137.97 49.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.56 -160.73 13.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.435 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.1 p 42.51 27.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 0.0 110.839 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 t -64.59 -60.91 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.89 83.92 0.45 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.419 ' C ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -127.42 167.4 16.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 110.864 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.85 124.23 46.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.49 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 99.4 t -82.0 91.36 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.065 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 10' ' ' VAL . 11.6 m120 -36.83 154.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.581 HG11 ' HD2' ' A' ' 120' ' ' LYS . 11.1 t -114.27 126.87 71.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -103.35 -71.58 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.8 t 56.54 41.2 28.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.2 p -90.77 79.72 5.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -157.11 160.83 39.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.563 HG23 ' N ' ' A' ' 18' ' ' THR . 13.3 m -44.31 -54.5 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.563 ' N ' HG23 ' A' ' 17' ' ' VAL . 7.0 t -47.48 145.48 2.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.5 p -150.61 113.0 4.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -111.42 103.15 11.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -123.63 135.6 54.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.2 mt -89.26 178.24 6.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.956 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 t -118.44 176.49 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -40.32 -60.37 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -48.31 -70.89 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 27' ' ' MET . 2.8 m-20 -47.08 -64.55 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.454 ' C ' ' O ' ' A' ' 26' ' ' ASP . 1.2 mmt -33.39 -41.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.3 mt -79.79 -46.63 16.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -53.02 -37.47 61.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.074 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.563 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 19.2 t90 -56.97 -51.03 70.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.562 HG13 ' CE2' ' A' ' 54' ' ' PHE . 18.9 t -71.99 -42.78 68.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -56.79 -17.08 7.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -110.07 -18.71 13.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.9 m -70.84 -65.63 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.715 HD22 ' HG2' ' A' ' 53' ' ' GLN . 0.4 OUTLIER -110.8 20.09 17.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 63.77 54.14 1.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.9 mm? -87.85 164.93 15.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -131.08 31.91 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.48 ' CD1' ' HB3' ' A' ' 44' ' ' GLN . 23.0 m-85 -71.59 129.23 38.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 62.1 p -101.89 -0.56 33.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.147 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -149.82 134.99 18.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.539 HG13 ' CE1' ' A' ' 112' ' ' PHE . 7.1 mm -54.25 -28.12 17.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -25.9 65.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.48 ' HB3' ' CD1' ' A' ' 39' ' ' TYR . 13.8 mm100 -58.77 -37.25 75.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.417 HD13 HD13 ' A' ' 115' ' ' ILE . 18.0 mt -54.84 -16.1 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.2 p -48.94 -37.07 18.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 t -45.95 -36.73 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 88.55 -40.88 3.05 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -34.89 -36.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.7 -53.98 33.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -55.46 -34.17 64.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.931 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.406 ' HA ' HD13 ' A' ' 85' ' ' LEU . 2.7 m -67.99 -41.96 81.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.715 ' HG2' HD22 ' A' ' 35' ' ' LEU . 37.4 tt0 -67.01 -22.8 65.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.708 ' CD2' HD11 ' A' ' 35' ' ' LEU . 12.3 m-85 -74.14 -47.51 35.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.412 ' HG3' ' CD1' ' A' ' 85' ' ' LEU . 74.5 mmm -49.02 -46.36 43.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.35 -39.41 87.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.571 ' HA ' ' CD2' ' A' ' 131' ' ' TYR . 2.7 ttm -63.0 -58.2 8.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.809 HD21 ' CD1' ' A' ' 122' ' ' PHE . 26.9 mt -66.56 -63.61 1.03 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.429 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 5.3 m-85 -111.22 95.78 27.35 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.8 Cg_endo -69.79 143.49 50.89 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.95 1.05 87.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 11.7 m -95.82 -30.61 13.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.2 p -121.9 149.58 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.451 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 5.0 t-160 -109.17 107.27 17.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.66 -15.38 62.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.451 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -69.31 -39.08 78.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -82.09 -3.74 55.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.2 t -88.69 149.58 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -114.53 95.8 5.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -74.72 -16.06 60.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -102.15 14.94 30.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.57 131.57 25.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.8 pttm -125.85 -31.56 2.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.2 mt -91.1 177.69 6.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.547 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 26.9 tt0 -76.95 -47.3 21.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -55.57 -33.11 63.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.48 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 25.6 mt-10 -66.36 -23.09 66.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.547 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 15.4 m-30 -73.62 -36.94 65.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.613 HG13 HG11 ' A' ' 104' ' ' VAL . 3.4 mp -68.44 -48.95 70.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -47.51 -54.92 10.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 77' ' ' GLU . 3.6 m-20 -53.71 -41.08 66.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.507 ' CD2' HG13 ' A' ' 100' ' ' VAL . 12.6 m-85 -66.02 -38.54 88.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.9 mttt -49.79 -65.98 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.4 p -53.22 -36.37 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.093 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.412 ' CD1' ' HG3' ' A' ' 55' ' ' MET . 25.3 tp -64.07 -43.71 94.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -53.69 -33.7 56.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.69 93.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.43 -28.28 66.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -70.83 -56.53 6.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -67.42 -32.76 73.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -48.1 -48.8 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.476 ' CG ' HG23 ' A' ' 94' ' ' VAL . 3.0 ptm -87.7 -45.98 9.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.61 38.21 0.37 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.71 HG12 ' H ' ' A' ' 96' ' ' LYS . 44.7 t -73.33 122.8 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 111.127 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -89.46 25.31 1.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.71 ' H ' HG12 ' A' ' 94' ' ' VAL . 2.8 tmtm? -108.32 89.13 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 27.0 mm -50.0 141.63 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 54.2 mt -105.31 97.71 14.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.741 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 82.7 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.685 2.257 . . . . 0.0 112.379 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.567 ' O ' HG22 ' A' ' 104' ' ' VAL . 62.8 t -72.16 -57.68 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.17 -27.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 100' ' ' VAL . 10.7 mttp -99.01 -53.86 3.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 103' ' ' LEU . 18.0 mt -46.99 -47.65 21.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.613 HG11 HG13 ' A' ' 79' ' ' ILE . 35.7 m -52.81 -46.65 51.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.532 ' N ' HG23 ' A' ' 104' ' ' VAL . 41.7 mmtt -34.03 -40.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.13 25.44 19.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.417 ' HE2' ' N ' ' A' ' 107' ' ' LYS . 6.9 mmpt? -67.99 168.52 11.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.553 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 4.0 t80 -103.56 -15.1 15.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.468 ' C ' ' CD ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -89.91 -71.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -45.38 -21.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -81.1 -51.26 8.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.553 ' CD2' ' O ' ' A' ' 108' ' ' PHE . 3.4 m-85 -43.61 -50.17 7.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -56.1 -61.71 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -43.84 -70.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.567 HG23 ' N ' ' A' ' 116' ' ' GLN . 7.7 tp -50.78 -47.56 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.567 ' N ' HG23 ' A' ' 115' ' ' ILE . 1.2 mm-40 -44.19 -47.94 9.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.477 ' CH2' ' HG3' ' A' ' 96' ' ' LYS . 5.0 t90 -82.66 -19.37 38.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -65.63 -23.44 66.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.563 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 6.2 tmtm? -73.25 -65.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.581 ' HD2' HG11 ' A' ' 12' ' ' VAL . 10.5 pttm -56.19 -30.25 62.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.513 ' HA ' HG21 ' A' ' 12' ' ' VAL . 29.2 t80 -70.79 -20.93 62.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.809 ' CD1' HD21 ' A' ' 58' ' ' LEU . 1.3 t80 -86.79 -30.41 21.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -76.88 -27.92 55.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.69 -15.38 63.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.632 ' HB2' HD22 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -116.35 -39.45 3.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.448 ' CD2' ' CE1' ' A' ' 122' ' ' PHE . 45.5 t80 -65.83 114.3 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -93.21 -39.34 11.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.414 ' HA2' ' CE1' ' A' ' 126' ' ' TYR . . . 147.65 52.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.17 150.78 30.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -86.98 131.71 34.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.571 ' CD2' ' HA ' ' A' ' 57' ' ' MET . 59.2 t80 -130.72 123.45 29.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.413 ' HA ' ' HD2' ' A' ' 133' ' ' PRO . 2.8 m120 -95.65 104.37 15.9 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.637 0.732 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 132' ' ' ASN . 53.9 Cg_endo -69.76 -36.22 11.2 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.7 2.267 . . . . 0.0 112.357 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.419 ' C ' ' HG3' ' A' ' 138' ' ' GLN . 16.0 mt -67.17 -53.52 29.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.505 HD23 ' CD ' ' A' ' 138' ' ' GLN . 78.3 mt -47.77 -23.02 0.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.25 -37.04 85.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 17.5 mmm-85 -126.96 30.65 5.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.505 ' CD ' HD23 ' A' ' 135' ' ' LEU . 7.3 mt-30 -79.68 140.89 36.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -142.53 -79.35 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -114.89 110.52 19.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.936 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -38.24 -34.58 0.13 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 143' ' ' ALA . 93.7 t -47.09 -56.5 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 142' ' ' VAL . . . -35.89 147.62 0.17 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 0.0 111.126 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 116.38 4.54 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.737 2.291 . . . . 0.0 112.281 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 141.6 45.54 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 129.06 17.01 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.262 . . . . 0.0 112.38 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -153.42 144.48 16.15 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.655 0.74 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.492 ' O ' ' N ' ' A' ' 150' ' ' ASP . 53.8 Cg_endo -69.83 4.46 2.21 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 148' ' ' PRO . . . -36.85 92.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 148' ' ' PRO . 1.1 t0 -156.55 121.9 4.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 110.837 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.518 ' C ' HD12 ' A' ' 152' ' ' ILE . 41.7 mm-40 -153.37 126.28 8.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.649 ' N ' HD12 ' A' ' 152' ' ' ILE . 3.3 mp -122.75 110.68 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -74.92 142.87 43.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 52.6 p -174.36 172.78 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 124.21 88.09 0.79 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.53 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 150.68 68.68 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.721 2.281 . . . . 0.0 112.322 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 11.2 t -147.2 147.15 30.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 19.2 m -127.29 128.23 45.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.488 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -146.39 145.7 30.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.8 m -51.88 101.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 148.82 98.56 0.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 4' ' ' GLY . 86.8 p -34.56 104.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.9 0.381 . . . . 0.0 110.876 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.2 p -64.04 125.0 23.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.467 ' O ' ' HE2' ' A' ' 92' ' ' MET . . . 91.76 96.02 1.32 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.37 177.71 4.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.635 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . -98.03 163.02 12.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.049 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 11' ' ' ASN . 60.4 t -122.55 91.09 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 10' ' ' VAL . 1.6 m-80 -35.34 123.03 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.2 t -85.9 111.07 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -133.28 90.94 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.978 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.5 p -107.34 173.51 6.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.5 t -74.29 -25.47 59.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.089 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.9 m 49.43 53.5 12.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -78.06 -31.4 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.16 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.5 p -84.81 -35.94 21.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m 51.44 25.03 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.413 ' O ' ' CD ' ' A' ' 20' ' ' GLU . 2.5 pp20? -97.19 116.07 28.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -91.88 138.11 31.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.4 mt -49.74 176.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 24' ' ' ARG . 88.4 p -110.84 153.59 25.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 23' ' ' SER . 22.3 ptt-85 -36.04 -45.69 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -54.35 -64.81 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -56.72 -54.0 51.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.663 ' SD ' HG23 ' A' ' 115' ' ' ILE . 3.7 mmt -44.48 -44.94 8.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.46 HD11 ' CA ' ' A' ' 41' ' ' LYS . 28.4 mt -77.76 -35.45 51.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.55 -43.43 97.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.464 ' CD2' ' HG2' ' A' ' 119' ' ' LYS . 26.9 t90 -56.2 -47.21 78.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.458 HG12 ' HB2' ' A' ' 37' ' ' LEU . 85.8 t -71.49 -48.02 55.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -55.7 -19.22 10.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -106.2 -34.28 7.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 m -54.62 -68.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.829 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.5 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 3.4 mt -108.93 21.34 17.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 59.84 54.87 4.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.5 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.6 mm? -84.49 170.31 13.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -133.42 40.69 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.401 ' HE2' ' HB2' ' A' ' 50' ' ' ALA . 29.0 m-85 -85.48 112.38 20.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.0 m -79.24 -16.88 55.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.187 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.46 ' CA ' HD11 ' A' ' 28' ' ' LEU . 34.1 mttm -139.53 147.07 40.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.519 HG13 ' CE1' ' A' ' 112' ' ' PHE . 8.4 mm -58.77 -44.58 90.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -48.76 -35.57 14.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -51.59 -49.27 62.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 46' ' ' CYS . 15.4 mt -40.44 -30.09 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 45' ' ' LEU . 30.2 p -34.51 -40.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 46' ' ' CYS . 6.8 t -34.34 -48.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 104.62 -48.6 0.97 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -34.78 -54.91 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.401 ' HB2' ' HE2' ' A' ' 39' ' ' TYR . . . -42.62 -55.95 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -55.52 -42.28 74.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.948 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 14.4 m -61.99 -53.68 52.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.412 ' HB3' HD13 ' A' ' 35' ' ' LEU . 49.8 tt0 -51.58 -27.25 10.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -72.81 -42.99 63.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 52.9 mmm -53.17 -41.27 65.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.48 -46.36 86.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.6 ttm -59.65 -57.71 11.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.648 HD21 ' CD1' ' A' ' 122' ' ' PHE . 39.7 mt -59.69 -66.56 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.44 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 2.3 m-85 -109.51 107.21 59.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.681 0.753 . . . . 0.0 110.879 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.3 Cg_endo -69.8 141.88 46.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.75 28.01 73.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.471 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.9 p -108.58 -34.7 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.361 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.0 p -121.45 158.44 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.429 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 4.1 t-160 -111.66 98.01 7.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.9 -35.16 80.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.429 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -49.64 -38.7 33.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.404 ' O ' ' NE2' ' A' ' 80' ' ' HIS . 11.4 mtpt -82.32 -21.17 36.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 64' ' ' HIS . 81.3 t -71.58 133.19 32.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.477 ' HE2' ' CG ' ' A' ' 80' ' ' HIS . 27.7 mtmt -101.78 104.95 15.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -74.48 -41.12 61.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -82.76 40.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.02 119.59 19.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.135 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -115.25 -39.17 3.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.6 mt -78.26 164.57 24.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.514 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 2.6 tp10 -63.5 -60.53 3.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.504 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.0 p80 -45.38 -46.4 13.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.504 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 28.7 mt-10 -48.17 -43.83 31.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.514 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 21.9 m-85 -55.35 -46.75 76.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.954 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' PHE . 3.2 mp -60.24 -53.64 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.477 ' CG ' ' HE2' ' A' ' 69' ' ' LYS . 36.4 t60 -39.39 -51.32 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 81' ' ' ASN . 0.3 OUTLIER -59.87 -35.93 75.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 79' ' ' ILE . 18.9 m-85 -73.91 -33.77 64.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -55.48 -59.66 4.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.1 p -60.36 -29.2 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.5 tp -67.42 -46.6 72.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.465 ' NE2' ' HB ' ' A' ' 98' ' ' ILE . 10.3 mm-40 -48.98 -38.31 22.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.95 -37.62 77.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.085 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.99 -34.94 79.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -67.58 -51.99 43.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 91' ' ' LYS . 8.2 mmmm -64.87 -44.49 89.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 90' ' ' LYS . 40.4 mttm -33.75 -44.46 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.635 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 14.2 ptp -98.26 -45.23 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.38 30.45 0.78 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.588 HG12 ' H ' ' A' ' 96' ' ' LYS . 72.5 t -57.73 116.66 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 111.165 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -82.71 38.59 0.58 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.588 ' H ' HG12 ' A' ' 94' ' ' VAL . 21.9 tptt -126.19 99.03 5.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.0 mm -60.78 141.42 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.153 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.465 ' HB ' ' NE2' ' A' ' 86' ' ' GLN . 69.0 mt -102.79 99.11 12.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.607 0.718 . . . . 0.0 111.123 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 83.2 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.752 2.301 . . . . 0.0 112.312 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.803 ' O ' HG22 ' A' ' 104' ' ' VAL . 87.4 t -73.83 -58.28 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.088 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -41.95 -24.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 100' ' ' VAL . 14.6 mttt -102.17 -47.42 4.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 103' ' ' LEU . 14.2 mt -55.17 -48.93 73.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.962 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.803 HG22 ' O ' ' A' ' 100' ' ' VAL . 22.1 m -54.03 -27.51 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -65.54 -27.63 68.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.88 35.06 20.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 108' ' ' PHE . 34.4 mttm -71.56 97.19 1.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.826 0.346 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.596 ' CE2' ' CZ ' ' A' ' 112' ' ' PHE . 5.0 t80 -34.59 -37.47 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.469 ' HA ' ' NE2' ' A' ' 109' ' ' GLN . 4.7 tp60 -74.58 -71.0 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -45.41 -21.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.426 ' O ' HG22 ' A' ' 115' ' ' ILE . 2.4 m-80 -83.4 -41.7 17.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.596 ' CZ ' ' CE2' ' A' ' 108' ' ' PHE . 2.5 m-85 -52.11 -55.28 21.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -52.19 -42.7 63.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -63.04 -70.66 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.663 HG23 ' SD ' ' A' ' 27' ' ' MET . 7.9 tp -53.66 -27.77 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -64.52 -53.32 49.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.562 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 3.8 t90 -71.94 -31.75 66.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -56.65 -35.77 68.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.464 ' HG2' ' CD2' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -62.53 -60.27 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.47 -42.42 91.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -64.3 -24.37 67.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.648 ' CD1' HD21 ' A' ' 58' ' ' LEU . 1.6 t80 -73.92 -40.72 62.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.03 -33.57 63.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.48 -30.47 62.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.072 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.436 ' OD1' HG23 ' A' ' 10' ' ' VAL . 3.3 m-80 -105.77 -47.41 3.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -43.37 115.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 128' ' ' GLY . 10.5 t70 -114.43 77.28 1.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 127' ' ' ASP . . . 34.51 73.02 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.459 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -137.5 136.95 38.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -89.9 158.75 17.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -152.05 150.88 30.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -107.18 92.08 7.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -23.95 30.48 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.743 2.295 . . . . 0.0 112.362 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 46.4 mt -75.84 -57.4 3.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 86.2 mt -39.96 -42.4 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -43.49 -43.16 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -118.45 45.16 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -105.69 105.17 15.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -79.47 -58.02 3.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.466 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -127.92 166.34 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.903 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -91.49 -43.52 9.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 90.6 t -38.81 -46.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -42.05 139.84 1.64 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.605 0.716 . . . . 0.0 111.041 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 142.65 48.36 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.668 2.246 . . . . 0.0 112.34 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 134.08 27.14 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.331 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 159.23 54.16 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.659 2.239 . . . . 0.0 112.348 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.76 135.65 19.71 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 81.64 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.24 . . . . 0.0 112.324 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 158.24 -99.0 0.18 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 6.1 t0 71.09 36.97 1.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 110.839 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -108.18 124.16 49.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 69.5 mt -94.05 124.01 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -108.46 139.06 43.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 58.0 p -116.38 -43.15 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 79.95 131.05 0.88 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 160.45 49.64 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.656 2.237 . . . . 0.0 112.324 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 5.9 m -74.37 116.41 15.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.3 t -66.22 -58.05 6.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.816 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.7 p -90.33 146.56 24.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.93 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -121.63 108.56 13.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.48 106.85 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.2 p -90.0 118.41 29.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.915 0.388 . . . . 0.0 110.826 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 p -118.01 178.77 4.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.14 88.49 1.5 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.07 174.81 10.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.778 0.323 . . . . 0.0 110.847 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.76 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . -97.4 166.2 11.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.595 HG23 ' OD1' ' A' ' 125' ' ' ASN . 60.6 t -128.63 87.15 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 10' ' ' VAL . 1.0 OUTLIER -34.03 142.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -107.24 85.35 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.548 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -117.05 96.85 5.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 t -166.22 -179.62 5.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.836 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 15' ' ' THR . 13.8 t -82.45 50.93 1.73 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 t -89.02 33.9 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 18' ' ' THR . 58.4 t -104.74 -59.41 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.434 HG23 ' N ' ' A' ' 19' ' ' SER . 10.2 t -36.28 -42.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.434 ' N ' HG23 ' A' ' 18' ' ' THR . 9.7 t -48.64 146.43 3.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -65.8 100.78 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -52.91 148.47 7.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.718 HD22 ' HB3' ' A' ' 26' ' ' ASP . 64.7 mt -71.71 159.27 34.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 24' ' ' ARG . 27.5 p -111.18 162.86 14.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 23' ' ' SER . 15.4 ptt-85 -34.58 -37.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 23' ' ' SER . 41.7 t-80 -64.38 -72.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.718 ' HB3' HD22 ' A' ' 22' ' ' LEU . 76.2 m-20 -51.64 -48.03 63.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.411 ' HB2' HD11 ' A' ' 42' ' ' ILE . 1.8 mmt -48.67 -47.49 40.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 mt -72.35 -51.14 21.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.21 -44.21 32.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.569 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 16.3 t90 -52.62 -40.71 63.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 37' ' ' LEU . 58.9 t -80.55 -46.26 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.167 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -57.67 -12.1 2.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -111.61 -33.37 6.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 m -58.07 -66.24 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.653 HD13 ' HB3' ' A' ' 53' ' ' GLN . 6.2 mt -108.84 17.38 21.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 64.06 54.93 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.491 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.6 mm? -86.08 165.79 16.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -130.9 31.86 4.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -72.1 125.83 28.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.431 ' C ' ' HG3' ' A' ' 41' ' ' LYS . 6.3 m -92.5 -5.52 51.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.431 ' HG3' ' C ' ' A' ' 40' ' ' THR . 27.3 mtmt -151.68 143.12 23.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.57 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 6.1 mm -58.5 -33.56 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.52 -26.45 65.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -60.94 -37.09 81.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.482 HD13 HD13 ' A' ' 115' ' ' ILE . 19.5 mt -53.14 -20.57 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 23.6 p -46.34 -34.97 4.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.1 m -45.19 -39.13 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 92.17 -38.23 3.23 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -35.48 -51.72 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 111.11 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.33 -58.0 9.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -46.89 -34.92 5.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.526 ' HB3' HG21 ' A' ' 68' ' ' VAL . 37.8 m -69.2 -54.48 14.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.653 ' HB3' HD13 ' A' ' 35' ' ' LEU . 20.2 tt0 -55.11 -22.99 18.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -71.42 -43.34 66.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.1 mmm -58.84 -31.78 68.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -63.5 -45.75 89.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.6 ttp -67.78 -54.66 17.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.4 mt -61.47 -65.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.428 ' CD1' ' HE1' ' A' ' 92' ' ' MET . 2.3 m-85 -114.23 98.46 48.54 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.639 0.733 . . . . 0.0 110.867 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.6 Cg_endo -69.73 144.27 53.61 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.355 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.1 15.37 71.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -107.3 -34.21 7.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.356 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.1 p -116.61 149.27 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.554 ' O ' HG23 ' A' ' 68' ' ' VAL . 3.1 t-160 -108.67 107.89 18.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mp -76.37 -32.97 58.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -49.15 -41.48 36.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -80.16 -20.74 44.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 64' ' ' HIS . 69.9 t -70.23 135.98 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.9 mttm -103.17 100.57 10.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -71.67 -35.62 70.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -89.53 33.51 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.448 ' HB1' ' HB3' ' A' ' 77' ' ' GLU . . . -68.97 121.31 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.053 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 73' ' ' LYS . 2.1 tmmm? -122.45 -19.55 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.6 mt -94.46 162.02 13.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.569 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 56.9 tt0 -61.54 -60.51 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.428 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.6 p80 -47.03 -40.72 15.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.448 ' HB3' ' HB1' ' A' ' 72' ' ' ALA . 25.6 mt-10 -56.36 -35.93 68.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 20.7 m-85 -62.52 -38.13 88.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.455 HG13 HG11 ' A' ' 104' ' ' VAL . 3.8 mp -71.8 -48.41 51.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -44.84 -54.28 6.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -56.72 -30.1 63.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.479 ' CD2' HG13 ' A' ' 100' ' ' VAL . 10.3 m-85 -77.75 -35.85 51.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -52.28 -62.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.7 p -57.88 -38.92 68.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.093 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 30.3 tp -59.1 -45.67 90.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.466 ' NE2' ' HB ' ' A' ' 98' ' ' ILE . 7.5 mm-40 -51.48 -44.23 62.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.61 -40.64 69.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.32 -35.49 75.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.45 ' CZ ' HD11 ' A' ' 98' ' ' ILE . 3.2 m-85 -64.22 -51.34 64.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -66.52 -41.53 88.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 90' ' ' LYS . 25.9 mttp -34.35 -36.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.76 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 12.6 ptp -107.28 -42.12 4.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 124.08 39.71 0.48 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.54 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.692 HG12 ' H ' ' A' ' 96' ' ' LYS . 41.2 t -64.78 118.42 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 111.121 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -83.36 37.57 0.57 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.692 ' H ' HG12 ' A' ' 94' ' ' VAL . 13.1 tptm -129.14 105.95 8.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 80.8 mt -66.37 140.24 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.466 ' HB ' ' NE2' ' A' ' 86' ' ' GLN . 62.4 mt -99.69 100.52 11.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 111.133 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 83.6 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.362 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.639 ' O ' HG22 ' A' ' 104' ' ' VAL . 91.0 t -75.07 -52.22 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -48.31 -23.52 0.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -102.48 -47.27 4.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 15.4 mt -53.48 -47.29 69.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 100' ' ' VAL . 26.9 m -53.3 -35.3 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -52.92 -34.15 53.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.31 3.77 64.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.515 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -45.68 106.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.329 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.587 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 2.4 t80 -44.74 -38.7 4.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.412 ' C ' ' N ' ' A' ' 111' ' ' ASN . 21.7 tp60 -67.41 -71.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.74 -21.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.437 ' O ' HG22 ' A' ' 115' ' ' ILE . 3.8 m-80 -81.35 -42.15 20.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.587 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 3.7 m-85 -56.34 -46.38 79.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -56.58 -48.4 77.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -59.49 -70.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.558 HG23 ' N ' ' A' ' 116' ' ' GLN . 9.5 tp -49.89 -46.78 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.558 ' N ' HG23 ' A' ' 115' ' ' ILE . 18.1 tp60 -48.86 -51.0 32.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.539 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 10.5 t90 -77.83 -20.6 52.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -66.95 -25.95 66.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.569 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 24.3 tptt -71.0 -60.96 1.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -57.32 -46.18 83.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.517 ' HE1' ' HB1' ' A' ' 9' ' ' ALA . 25.8 t80 -59.38 -19.82 49.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.73 ' CZ ' ' CD2' ' A' ' 126' ' ' TYR . 0.3 OUTLIER -86.34 -30.43 22.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -77.52 -34.52 53.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -52.96 -30.1 32.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.595 ' OD1' HG23 ' A' ' 10' ' ' VAL . 4.6 m-80 -108.53 -44.59 4.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.73 ' CD2' ' CZ ' ' A' ' 122' ' ' PHE . 39.3 t80 -56.97 129.95 43.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -115.17 -41.24 3.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 155.88 58.47 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.19 107.6 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.35 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.87 132.72 54.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -124.54 135.36 53.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.439 ' CG ' ' HG ' ' A' ' 135' ' ' LEU . 0.1 OUTLIER -101.21 102.4 20.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 110.893 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.438 ' HG3' ' C ' ' A' ' 35' ' ' LEU . 53.7 Cg_endo -69.78 -35.44 12.58 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.287 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.6 -43.8 97.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.439 ' HG ' ' CG ' ' A' ' 132' ' ' ASN . 49.2 mt -54.65 -28.09 44.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.952 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.93 -27.92 69.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -126.81 33.42 4.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.426 ' HG3' HD23 ' A' ' 135' ' ' LEU . 16.0 mm-40 -93.88 170.28 9.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -134.59 -44.79 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.474 ' H ' ' NE2' ' A' ' 140' ' ' GLN . 0.2 OUTLIER -136.2 151.23 49.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.888 -179.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -89.87 -49.85 6.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.835 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 72.4 t -37.92 -43.78 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -44.11 147.85 0.89 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.616 0.722 . . . . 0.0 111.126 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . 0.414 ' HA ' ' HD2' ' A' ' 145' ' ' PRO . 53.4 Cg_endo -69.78 110.37 2.54 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.648 2.232 . . . . 0.0 112.337 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 144' ' ' PRO . 53.6 Cg_endo -69.78 156.03 64.33 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.709 2.273 . . . . 0.0 112.339 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 161.39 46.12 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.674 2.249 . . . . 0.0 112.286 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -39.72 131.93 1.42 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.718 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -49.8 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.647 2.232 . . . . 0.0 112.328 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.7 65.49 1.01 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -88.72 35.57 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.789 0.328 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -53.61 146.91 12.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 26.7 mt -92.52 109.17 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -98.14 149.01 22.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 49.6 m -158.18 168.0 28.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 145.94 144.38 4.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 95.39 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.686 2.258 . . . . 0.0 112.357 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.2 m -57.75 -61.32 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 32.9 p -45.92 -43.23 13.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.512 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -95.41 127.22 41.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.917 0.389 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -99.81 -51.04 3.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.59 177.81 21.45 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -130.64 110.71 11.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -142.7 143.43 32.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.811 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.35 -19.57 39.53 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.524 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 ptp -132.64 166.44 22.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.768 0.318 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.403 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . -75.13 157.41 34.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 11' ' ' ASN . 50.3 t -126.54 87.54 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.511 ' CB ' ' CE2' ' A' ' 13' ' ' TYR . 1.7 m-80 -34.4 127.31 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 t -88.24 77.26 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.511 ' CE2' ' CB ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -112.61 38.66 2.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.979 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.2 m -85.17 179.44 7.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.866 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.1 t -41.05 130.07 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.1 p -46.22 162.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.9 m -89.61 -176.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.3 p -134.51 -44.16 0.76 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 t -75.34 167.26 22.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -81.16 -61.02 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -174.58 149.6 1.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.7 mt -57.65 -179.63 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 26' ' ' ASP . 66.4 m -108.95 143.17 38.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 23' ' ' SER . 5.3 ptt180 -34.89 -35.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 23' ' ' SER . 52.3 t-80 -65.01 -52.29 56.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 23' ' ' SER . 14.6 m-20 -68.9 -48.19 63.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.71 ' SD ' HG23 ' A' ' 115' ' ' ILE . 4.1 mmt -52.78 -46.09 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.578 HD11 ' CA ' ' A' ' 41' ' ' LYS . 26.9 mt -76.68 -50.88 12.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.67 -36.1 15.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.574 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 11.4 t90 -62.32 -44.56 96.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.507 HG12 ' HB2' ' A' ' 37' ' ' LEU . 98.3 t -74.14 -44.04 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -50.54 -25.35 4.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.8 -36.53 9.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.7 m -47.56 -75.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.594 HD22 ' HG2' ' A' ' 53' ' ' GLN . 2.3 mt -106.16 21.77 16.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 62.94 54.96 2.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.507 ' HB2' HG12 ' A' ' 31' ' ' VAL . 3.2 mm? -87.72 161.83 17.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -129.45 41.92 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -81.66 131.93 35.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.54 HG22 HE21 ' A' ' 44' ' ' GLN . 15.1 t -95.35 -9.31 33.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.105 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.578 ' CA ' HD11 ' A' ' 28' ' ' LEU . 22.9 mtmt -150.2 147.31 27.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.569 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 6.2 mm -55.81 -48.52 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 9.4 pt-20 -43.2 -35.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.54 HE21 HG22 ' A' ' 40' ' ' THR . 14.7 mm-40 -52.31 -42.64 63.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.561 HD13 HD13 ' A' ' 115' ' ' ILE . 22.1 mt -49.99 -32.79 16.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' SER . 14.3 p -40.42 -33.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' CYS . 2.8 p -36.0 -44.53 0.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 103.81 -48.58 1.0 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.504 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 50' ' ' ALA . . . -36.9 -65.21 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.762 0.315 . . . . 0.0 111.08 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 49' ' ' ALA . . . -35.73 -66.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.067 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -42.49 -39.32 2.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 49' ' ' ALA . 7.7 m -66.97 -51.0 60.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.877 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.594 ' HG2' HD22 ' A' ' 35' ' ' LEU . 56.4 tt0 -57.67 -23.29 50.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -71.93 -42.27 66.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 27.8 mmm -58.45 -39.69 80.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -61.53 -36.91 81.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.0 ttm -69.34 -56.52 7.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' ' 125' ' ' ASN . 39.5 mt -66.67 -58.97 4.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -111.93 96.92 35.96 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.641 0.734 . . . . 0.0 110.95 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 144.62 54.71 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.706 2.27 . . . . 0.0 112.312 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.55 26.57 68.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.445 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.9 t -112.99 -35.41 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.6 p -116.48 150.78 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.642 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 2.0 t60 -101.85 117.37 34.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.59 -31.73 18.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.587 ' HB2' ' CD2' ' A' ' 64' ' ' HIS . 13.2 mmm180 -56.54 -18.82 12.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.642 ' HG3' ' CD2' ' A' ' 64' ' ' HIS . 15.1 mttt -100.93 -9.26 21.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 55.9 t -83.41 144.2 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.561 ' HZ3' ' HG2' ' A' ' 77' ' ' GLU . 13.3 mttp -106.64 103.33 12.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -76.34 -30.51 57.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -95.63 33.57 1.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.44 132.66 48.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -129.24 -30.63 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.5 mt -83.19 166.31 18.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.581 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 14.6 tt0 -70.49 -57.52 4.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -48.47 -38.51 20.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.813 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.561 ' HG2' ' HZ3' ' A' ' 69' ' ' LYS . 27.4 mt-10 -57.58 -32.51 67.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.581 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 15.9 m-30 -62.28 -42.37 99.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.724 HG13 HG11 ' A' ' 104' ' ' VAL . 4.2 mp -67.35 -46.32 83.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -46.58 -59.01 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.91 -32.6 61.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.734 ' CD2' HG13 ' A' ' 100' ' ' VAL . 6.0 m-85 -71.77 -41.39 68.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -52.54 -71.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.5 p -44.97 -37.52 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.3 tp -66.7 -37.85 85.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -55.18 -41.26 71.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.44 -39.93 70.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.93 -36.1 74.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.49 ' CE1' HD11 ' A' ' 98' ' ' ILE . 3.3 m-85 -62.49 -54.11 44.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' MET . 62.2 mmtt -66.2 -39.24 89.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 90' ' ' LYS . 3.1 mtpm? -34.15 -35.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' LYS . 12.6 ptp -108.16 -47.16 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.845 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 135.52 29.62 0.37 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.765 HG12 ' H ' ' A' ' 96' ' ' LYS . 97.7 t -62.52 115.5 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.338 . . . . 0.0 111.161 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -84.69 26.29 0.83 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.765 ' H ' HG12 ' A' ' 94' ' ' VAL . 2.5 tmtm? -111.41 92.82 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.3 mm -60.28 129.52 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.49 HD11 ' CE1' ' A' ' 89' ' ' PHE . 52.4 mt -86.34 109.68 25.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 111.148 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 98' ' ' ILE . 54.0 Cg_endo -69.76 81.11 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.331 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.734 HG13 ' CD2' ' A' ' 82' ' ' PHE . 42.9 t -74.86 -62.6 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -40.36 -25.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 100' ' ' VAL . 16.2 mttm -99.18 -51.02 3.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 103' ' ' LEU . 12.2 mt -51.53 -50.55 59.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.724 HG11 HG13 ' A' ' 79' ' ' ILE . 22.6 m -51.66 -35.27 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -50.47 -43.3 55.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 107' ' ' LYS . . . 106.88 -14.26 41.25 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.492 ' N ' ' HD2' ' A' ' 107' ' ' LYS . 5.9 mptt -34.18 121.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.569 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 2.4 t80 -60.95 -21.24 63.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 111' ' ' ASN . 4.7 tp60 -84.18 -71.06 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.55 -23.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 109' ' ' GLN . 4.0 m-80 -81.46 -46.53 14.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.568 ' CE1' HG13 ' A' ' 42' ' ' ILE . 3.3 m-85 -52.32 -50.78 61.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -52.31 -38.47 58.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -73.48 -69.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.71 HG23 ' SD ' ' A' ' 27' ' ' MET . 10.1 tp -52.54 -25.57 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 5.1 tp-100 -68.81 -46.06 69.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.567 ' CZ2' ' HG3' ' A' ' 96' ' ' LYS . 5.1 t90 -78.06 -31.25 50.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -57.65 -27.47 62.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.574 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 17.6 tptm -63.04 -68.28 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.4 pttt -54.83 -44.02 73.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -56.01 -34.94 66.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.4 ' CD1' HD21 ' A' ' 58' ' ' LEU . 1.2 t80 -67.72 -38.67 83.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -71.22 -38.78 71.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.58 -32.25 18.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.491 ' HB2' HD22 ' A' ' 58' ' ' LEU . 1.6 m-80 -102.32 -45.71 5.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -63.93 129.5 40.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.06 -40.37 3.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 160.2 41.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.505 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -90.41 176.88 6.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.99 133.36 55.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -136.9 145.95 44.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.955 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.401 ' HA ' ' HD2' ' A' ' 133' ' ' PRO . 4.1 m120 -107.18 93.76 9.96 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 132' ' ' ASN . 53.9 Cg_endo -69.72 -17.62 37.66 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.371 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.473 HD22 ' HG3' ' A' ' 146' ' ' PRO . 31.2 mt -81.64 -56.43 4.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 77.9 mt -45.57 -32.47 2.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -50.72 -39.58 52.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -125.12 43.01 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -99.16 176.94 5.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 172.14 -92.97 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.97 156.78 30.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 110.923 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 142' ' ' VAL . 14.5 m-20 -90.03 -45.1 9.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 141' ' ' ASP . 86.3 t -34.69 -49.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -44.53 138.59 3.77 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 111.042 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 137.22 34.83 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 146.29 59.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.335 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . 0.473 ' HG3' HD22 ' A' ' 134' ' ' LEU . 53.1 Cg_endo -69.85 175.95 7.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.282 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -140.36 145.73 42.45 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.732 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -42.52 3.3 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 48.91 96.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -156.2 121.46 4.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.767 0.318 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -83.85 148.91 26.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.57 HG23 ' O ' ' A' ' 152' ' ' ILE . 19.4 tt -82.71 118.38 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.172 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -167.65 115.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 68.9 m -151.73 116.44 5.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.802 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 160.71 127.46 0.89 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.508 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 115.73 4.24 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.637 2.225 . . . . 0.0 112.324 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 26.7 t -52.71 148.43 7.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 8.5 t -110.62 124.48 51.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -133.96 145.87 49.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.809 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.2 m -149.55 117.9 6.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.0 135.75 4.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.502 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -64.68 -66.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.359 . . . . 0.0 110.889 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.0 p -65.11 116.27 6.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.903 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.43 -111.94 0.27 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.685 ' HA ' ' HE2' ' A' ' 92' ' ' MET . 0.0 OUTLIER -90.52 166.38 13.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 110.89 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.725 ' HB2' HG22 ' A' ' 94' ' ' VAL . . . -65.53 112.27 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' ASN . 86.5 t -78.92 89.74 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.143 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.531 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 1.7 m-80 -37.09 105.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.446 HG21 ' HA ' ' A' ' 121' ' ' PHE . 33.9 t -70.06 91.47 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.531 ' CE1' ' HB3' ' A' ' 11' ' ' ASN . 4.1 m-85 -103.68 32.62 3.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.1 m -132.12 -176.31 4.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.1 p -81.82 175.97 9.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 m -54.54 160.34 1.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.573 ' O ' HG22 ' A' ' 17' ' ' VAL . 5.7 p -100.49 -4.8 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.419 HG23 HG13 ' A' ' 17' ' ' VAL . 66.1 p -122.31 -65.23 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' GLU . 12.5 t -154.8 163.82 39.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 19' ' ' SER . 4.3 mm-40 -35.87 -43.81 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -170.2 136.26 1.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.463 HD11 ' HZ3' ' A' ' 119' ' ' LYS . 63.5 mt -84.84 -178.75 6.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m -121.79 163.73 18.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -40.07 -43.44 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -55.32 -71.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 29' ' ' ALA . 84.7 m-20 -52.66 -58.3 7.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.7 mmt -40.93 -42.41 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.9 mt -81.31 -29.34 34.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -67.79 -39.52 84.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.05 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.561 ' CD1' ' HE3' ' A' ' 119' ' ' LYS . 26.4 t90 -62.14 -38.18 88.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.5 t -81.88 -42.34 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -62.01 -20.59 64.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.57 -22.02 14.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.6 m -73.4 -63.52 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.671 HD11 ' CD2' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -114.53 39.28 2.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.651 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 6.4 p80 40.83 54.34 3.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.522 ' HA ' HD13 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -81.56 154.89 25.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -123.13 36.19 4.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -75.59 125.0 28.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 40' ' ' THR . 29.5 m -88.64 -11.49 45.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -150.97 153.58 35.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.506 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 3.6 mm -63.44 -31.24 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.402 ' O ' ' SG ' ' A' ' 46' ' ' CYS . 6.2 pt-20 -62.69 -25.83 68.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -64.18 -37.2 86.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 46' ' ' CYS . 21.1 mt -49.34 -31.68 9.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 47' ' ' SER . 31.8 p -36.61 -35.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.504 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 79.3 p -31.58 -51.58 0.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.96 -36.26 4.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.411 ' HA ' HG13 ' A' ' 68' ' ' VAL . . . -52.01 -56.53 13.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.777 0.322 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -40.49 -58.39 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -49.16 -39.45 29.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.3 m -63.19 -60.13 3.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.62 ' HB3' HD13 ' A' ' 35' ' ' LEU . 14.6 tp60 -46.06 -25.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.671 ' CD2' HD11 ' A' ' 35' ' ' LEU . 7.6 m-85 -75.13 -47.47 28.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.465 ' HG3' ' CD1' ' A' ' 85' ' ' LEU . 75.8 mmm -46.13 -46.78 17.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.52 -45.47 93.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.564 ' HA ' ' CD2' ' A' ' 131' ' ' TYR . 4.0 ttm -54.19 -60.55 3.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.49 -58.65 7.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -118.57 108.85 40.81 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.656 0.741 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.89 46.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.267 . . . . 0.0 112.389 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.92 29.51 73.64 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.9 p -111.49 -31.84 6.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.86 0.362 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 p -124.1 162.51 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 66' ' ' ARG . 3.1 t-160 -113.18 95.7 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.484 HD11 ' HA ' ' A' ' 53' ' ' GLN . 1.8 mp -62.95 -29.69 70.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.559 ' HB2' ' CD2' ' A' ' 64' ' ' HIS . 7.0 mpt_? -58.75 -38.51 78.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.419 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 0.7 OUTLIER -84.3 -15.47 46.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.411 HG13 ' HA ' ' A' ' 49' ' ' ALA . 29.0 t -66.34 129.9 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.519 ' HE3' ' CD2' ' A' ' 80' ' ' HIS . 19.8 mmtp -90.36 93.09 9.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -78.09 -34.43 50.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -100.25 31.81 3.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.11 122.19 14.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.056 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -115.67 -35.93 4.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.2 mt -82.65 168.77 16.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 24.9 tt0 -66.39 -57.83 6.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.414 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 2.7 p80 -49.45 -39.4 33.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.414 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 26.6 mt-10 -57.96 -33.3 68.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.573 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 23.1 m-85 -61.8 -39.7 92.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 82' ' ' PHE . 4.7 mp -72.95 -48.5 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.519 ' CD2' ' HE3' ' A' ' 69' ' ' LYS . 24.8 t60 -33.81 -60.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 47' ' ' SER . 18.7 p30 -51.94 -41.9 62.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.7 ' CD2' HG13 ' A' ' 100' ' ' VAL . 8.1 m-85 -65.13 -36.39 84.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -56.02 -61.26 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.5 p -59.07 -31.17 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.465 ' CD1' ' HG3' ' A' ' 55' ' ' MET . 38.6 tp -68.42 -47.75 66.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -48.88 -35.62 15.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.12 -44.14 96.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.41 -28.9 69.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -69.24 -52.39 28.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 91' ' ' LYS . 43.3 mmtt -69.31 -39.89 77.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 90' ' ' LYS . 34.4 mttm -34.69 -52.87 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.685 ' HE2' ' HA ' ' A' ' 8' ' ' MET . 3.7 ptm -88.84 -48.28 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.33 51.29 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.725 HG22 ' HB2' ' A' ' 9' ' ' ALA . 57.4 t -80.98 117.13 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 111.152 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -82.19 37.47 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.565 ' HG2' ' CH2' ' A' ' 117' ' ' TRP . 31.8 tptt -124.54 109.21 12.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 23.2 mm -68.93 142.07 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 70.4 mt -103.43 96.84 9.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.686 0.755 . . . . 0.0 111.172 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 82.46 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.672 2.248 . . . . 0.0 112.371 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.7 HG13 ' CD2' ' A' ' 82' ' ' PHE . 61.1 t -71.46 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.109 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -41.6 -24.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 100' ' ' VAL . 12.0 mttt -99.69 -45.12 5.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.416 HD11 ' CD1' ' A' ' 114' ' ' PHE . 15.8 mt -57.73 -47.43 82.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 100' ' ' VAL . 28.3 m -53.31 -26.57 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.19 -34.33 77.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.53 34.59 13.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.44 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -74.66 104.91 5.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.663 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 2.8 t80 -39.9 -34.94 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.502 ' C ' ' CD ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -71.05 -72.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -48.76 -21.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.496 ' O ' HG22 ' A' ' 115' ' ' ILE . 7.5 m-80 -79.39 -50.03 11.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.663 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 2.5 m-85 -46.34 -48.36 18.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -55.11 -61.73 2.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.416 ' CD1' HD11 ' A' ' 103' ' ' LEU . 5.4 t80 -43.35 -71.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.496 HG22 ' O ' ' A' ' 111' ' ' ASN . 5.7 tp -51.7 -42.12 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.152 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.504 ' CG ' ' O ' ' A' ' 112' ' ' PHE . 33.5 mm-40 -52.74 -61.01 2.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.565 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 7.9 t90 -62.91 -29.99 71.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.4 ' HE2' ' CD2' ' A' ' 54' ' ' PHE . 1.6 t80 -58.82 -34.22 71.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.561 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 22.3 tptm -60.75 -62.9 1.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -57.31 -45.27 84.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.446 ' HA ' HG21 ' A' ' 12' ' ' VAL . 13.9 t80 -57.33 -29.05 63.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.415 ' O ' ' CB ' ' A' ' 126' ' ' TYR . 0.7 OUTLIER -73.08 -41.31 64.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -71.79 -32.03 67.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -55.25 -39.49 69.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.064 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -100.52 -46.92 5.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.415 ' CB ' ' O ' ' A' ' 122' ' ' PHE . 65.5 t80 -52.94 109.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -105.29 40.24 1.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 67.32 54.14 21.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 11.3 ptmm? -112.28 100.49 8.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.757 0.313 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -40.2 138.81 0.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.842 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.564 ' CD2' ' HA ' ' A' ' 57' ' ' MET . 33.8 t80 -150.59 114.11 4.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -82.78 110.75 24.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.622 0.725 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.423 ' CB ' ' HA ' ' A' ' 35' ' ' LEU . 53.3 Cg_endo -69.81 -36.73 10.15 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.427 HD23 ' CE1' ' A' ' 36' ' ' HIS . 7.0 mt -65.18 -66.45 0.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 134' ' ' LEU . 54.5 mt -37.36 -41.4 0.42 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -42.39 -47.75 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 138' ' ' GLN . 16.4 mmm180 -86.61 -42.63 13.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 137' ' ' ARG . 96.6 mm-40 -35.08 134.26 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -145.35 -59.68 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.466 ' H ' ' NE2' ' A' ' 140' ' ' GLN . 0.0 OUTLIER -77.73 177.37 8.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 110.904 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.16 -38.01 25.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 44.3 t -131.18 -70.64 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.735 ' HB1' ' HD2' ' A' ' 144' ' ' PRO . . . -162.21 165.21 16.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.568 0.699 . . . . 0.0 111.105 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . 0.735 ' HD2' ' HB1' ' A' ' 143' ' ' ALA . 54.0 Cg_endo -69.75 167.53 24.15 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.698 2.265 . . . . 0.0 112.374 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 147.31 63.12 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.717 2.278 . . . . 0.0 112.371 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 165.61 30.42 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.732 2.288 . . . . 0.0 112.336 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . 0.479 ' ND2' ' HD2' ' A' ' 148' ' ' PRO . 5.9 t-20 -96.4 139.11 21.53 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.635 0.731 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.479 ' HD2' ' ND2' ' A' ' 147' ' ' ASN . 53.7 Cg_endo -69.79 -47.37 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.341 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 85.59 -83.1 1.63 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.468 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 58.8 47.16 13.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.774 0.321 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -83.05 48.68 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 62.2 mt -106.22 120.59 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -109.17 -50.52 2.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.4 t 61.17 42.17 12.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.882 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -134.38 137.76 9.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.537 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 107.08 1.78 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.729 2.286 . . . . 0.0 112.332 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 68.1 p -101.31 84.69 2.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 12.7 t 66.82 41.88 2.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.51 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 p -57.99 115.31 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.831 0.348 . . . . 0.0 110.87 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 t 58.56 43.13 19.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.08 62.99 0.28 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.483 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.1 t -65.79 -54.3 28.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.887 0.375 . . . . 0.0 110.89 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -123.46 158.4 31.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.89 98.13 2.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.39 164.35 30.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.89 169.17 12.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.665 HG23 ' OD1' ' A' ' 125' ' ' ASN . 60.3 t -134.48 98.31 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.494 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 0.9 OUTLIER -44.5 113.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 t -77.71 95.97 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.494 ' CE1' ' HB3' ' A' ' 11' ' ' ASN . 9.5 m-85 -116.51 31.29 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 56.0 m -112.32 176.47 5.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.832 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.8 p -64.53 174.19 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.165 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 17' ' ' VAL . 60.9 p -78.34 86.39 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.844 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 18' ' ' THR . 10.5 p -36.57 -42.24 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.185 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.443 ' N ' HG13 ' A' ' 17' ' ' VAL . 12.7 t -94.1 169.92 9.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 20' ' ' GLU . 2.8 t -46.36 164.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 19' ' ' SER . 10.0 mm-40 -34.47 -39.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -173.31 127.03 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 71.8 mt -66.19 172.26 4.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 24' ' ' ARG . 6.7 m -111.44 152.24 27.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 23' ' ' SER . 4.9 ttt-85 -35.02 -40.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -58.9 -70.04 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 27' ' ' MET . 36.1 m-20 -50.07 -61.73 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' ASP . 3.4 mmt -36.44 -50.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.645 HD11 ' HA ' ' A' ' 41' ' ' LYS . 24.7 mt -69.91 -46.74 64.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.07 -46.2 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.579 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 14.3 t90 -52.44 -46.01 66.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -72.37 -45.2 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.076 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -61.14 -14.6 25.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -109.62 -31.45 7.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.7 m -58.62 -63.05 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.609 HD22 ' HG2' ' A' ' 53' ' ' GLN . 3.1 mt -113.49 18.15 17.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 63.89 53.71 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.492 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.5 mm? -85.61 158.62 20.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -119.22 34.03 5.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -76.85 123.61 26.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.9 m -93.18 -8.77 41.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.645 ' HA ' HD11 ' A' ' 28' ' ' LEU . 60.0 mttp -148.8 146.51 28.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.473 HG13 ' CE1' ' A' ' 112' ' ' PHE . 4.8 mm -58.04 -49.62 80.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -44.19 -33.39 1.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -56.52 -47.19 79.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 46' ' ' CYS . 19.1 mt -39.63 -29.34 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 47' ' ' SER . 30.1 p -37.4 -40.08 0.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' CYS . 13.1 m -35.09 -46.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 97.73 -44.12 1.87 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -34.29 -42.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.783 0.325 . . . . 0.0 111.078 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.52 -60.57 3.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -47.58 -43.19 25.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.448 ' HB3' HG21 ' A' ' 68' ' ' VAL . 4.0 m -61.01 -49.37 77.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.609 ' HG2' HD22 ' A' ' 35' ' ' LEU . 55.9 tt0 -61.92 -23.06 66.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -72.88 -48.05 40.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 44.6 mmm -49.05 -37.74 21.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.77 -55.74 20.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.519 ' HG3' ' CG ' ' A' ' 131' ' ' TYR . 4.4 ttm -51.16 -57.58 8.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.5 -57.21 10.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -118.74 96.87 50.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.67 0.748 . . . . 0.0 110.907 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.6 Cg_endo -69.72 142.37 47.96 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.97 20.54 78.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.0 m -111.13 -34.28 6.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.852 0.358 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.9 p -116.78 154.0 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.526 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 4.5 t-160 -107.71 104.16 13.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 mp -73.57 -18.93 61.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.526 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 2.4 tpt180 -63.59 -38.05 89.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -84.62 -15.57 45.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.448 HG21 ' HB3' ' A' ' 52' ' ' CYS . 61.0 t -74.54 129.22 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.136 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.464 ' HE2' ' CD2' ' A' ' 80' ' ' HIS . 29.3 mttm -98.23 101.84 13.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -73.08 -36.76 66.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -86.54 39.8 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.74 131.39 38.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -130.79 -33.48 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.9 mt -80.85 164.18 22.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.578 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 15.4 tp10 -63.26 -61.74 2.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.422 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.7 p80 -47.07 -40.73 15.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.422 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 17.8 mt-10 -55.36 -32.65 62.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.578 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.0 m-85 -63.79 -43.81 95.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.832 HG13 HG11 ' A' ' 104' ' ' VAL . 4.1 mp -65.67 -50.64 70.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.464 ' CD2' ' HE2' ' A' ' 69' ' ' LYS . 28.0 t60 -40.32 -57.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.74 -31.99 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' ILE . 8.9 m-85 -75.36 -30.63 60.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -56.99 -64.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.9 p -55.97 -36.03 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.8 tp -59.86 -48.97 79.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.49 ' O ' ' CD ' ' A' ' 90' ' ' LYS . 11.4 mm-40 -49.55 -40.94 40.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.77 -41.11 77.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.417 ' O ' ' SD ' ' A' ' 92' ' ' MET . . . -62.48 -32.22 73.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -64.95 -41.48 95.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -75.02 -33.72 61.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -38.9 -33.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.417 ' SD ' ' O ' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -109.84 -35.93 6.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.873 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.18 39.56 0.68 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.456 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.618 HG12 ' H ' ' A' ' 96' ' ' LYS . 79.9 t -66.95 115.91 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -84.01 36.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.618 ' H ' HG12 ' A' ' 94' ' ' VAL . 14.8 tptt -126.07 102.37 7.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.8 mm -67.36 126.3 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.413 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 46.2 mt -82.11 111.01 23.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 111.083 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 98' ' ' ILE . 54.1 Cg_endo -69.75 81.94 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.409 ' CG1' HG13 ' A' ' 79' ' ' ILE . 97.4 t -74.82 -59.33 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -44.09 -22.48 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 100' ' ' VAL . 14.4 mttt -100.63 -50.13 3.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.6 mt -52.97 -47.11 68.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.832 HG11 HG13 ' A' ' 79' ' ' ILE . 17.6 m -54.68 -25.81 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -65.32 -30.87 71.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.31 23.8 46.43 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 108.94 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.59 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 2.1 t80 -44.2 -35.36 2.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -71.73 -70.75 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -48.22 -20.45 0.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.47 ' O ' HG22 ' A' ' 115' ' ' ILE . 2.5 m-80 -82.81 -42.0 18.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.59 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 2.9 m-85 -55.03 -50.34 69.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -54.96 -59.53 4.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -45.45 -70.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.548 HG23 ' N ' ' A' ' 116' ' ' GLN . 10.1 tp -50.35 -46.23 25.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.548 ' N ' HG23 ' A' ' 115' ' ' ILE . 13.3 mm-40 -48.37 -57.85 5.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -66.87 -28.78 68.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -60.72 -28.88 68.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.579 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 22.5 tptp -63.9 -61.58 2.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -58.54 -43.56 89.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -63.72 -22.4 66.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.494 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -77.9 -44.17 27.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.415 ' N ' ' CD1' ' A' ' 122' ' ' PHE . 14.2 t70 -73.11 -20.91 60.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.79 -27.03 68.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.665 ' OD1' HG23 ' A' ' 10' ' ' VAL . 20.7 m-80 -117.02 -40.05 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.83 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.569 ' CE2' ' HA2' ' A' ' 128' ' ' GLY . 29.3 t80 -34.09 -66.06 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 59.26 37.5 23.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.569 ' HA2' ' CE2' ' A' ' 126' ' ' TYR . . . 54.5 49.96 58.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 129' ' ' LYS . 5.5 ptmt -95.31 113.06 24.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.37 133.84 34.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.519 ' CG ' ' HG3' ' A' ' 57' ' ' MET . 56.2 t80 -157.25 129.15 7.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.582 ' HB3' HD12 ' A' ' 135' ' ' LEU . 0.2 OUTLIER -101.33 112.25 64.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.634 0.731 . . . . 0.0 110.871 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.468 ' O ' ' HB3' ' A' ' 136' ' ' ALA . 53.9 Cg_endo -69.75 -45.48 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.631 2.221 . . . . 0.0 112.356 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.5 mt -52.62 -50.43 63.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.582 HD12 ' HB3' ' A' ' 132' ' ' ASN . 78.5 mt -48.95 -20.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 133' ' ' PRO . . . -60.69 -35.46 76.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.07 38.46 3.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -89.4 119.1 29.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 152.02 -58.51 0.42 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.529 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.496 ' NE2' ' HA ' ' A' ' 140' ' ' GLN . 4.0 mm-40 -53.08 111.71 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.818 0.342 . . . . 0.0 110.854 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -58.85 -10.8 2.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.5 t -69.47 -50.64 49.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.41 137.23 97.02 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.599 0.714 . . . . 0.0 111.064 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 153.91 68.35 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 164.88 32.86 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.736 2.291 . . . . 0.0 112.334 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 120.13 6.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.642 2.228 . . . . 0.0 112.298 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -98.97 146.24 31.35 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.64 0.734 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -46.66 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.68 2.253 . . . . 0.0 112.353 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 139.31 -118.65 1.56 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -167.39 138.93 3.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.318 . . . . 0.0 110.833 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.483 ' HB3' ' CE2' ' A' ' 153' ' ' PHE . 65.9 mt-30 -143.24 131.55 22.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 72.3 mt -112.25 109.51 28.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.483 ' CE2' ' HB3' ' A' ' 151' ' ' GLN . 96.8 m-85 -111.23 103.25 11.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 31.7 p -158.73 122.09 3.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -107.67 94.08 0.87 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 95.53 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.718 2.279 . . . . 0.0 112.325 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 95.5 p -80.93 125.99 30.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.1 t -129.12 134.2 47.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 p -160.72 179.19 8.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.7 p -101.89 102.54 13.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.64 -155.78 7.42 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 t -162.32 119.72 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.947 0.403 . . . . 0.0 110.819 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 p -56.56 162.65 2.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.58 -49.97 0.9 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.412 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.5 mmt -119.85 159.24 24.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.764 0.316 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.524 ' CB ' HG22 ' A' ' 94' ' ' VAL . . . -89.64 122.88 33.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.441 HG23 ' OD1' ' A' ' 125' ' ' ASN . 89.1 t -85.46 89.62 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.17 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' VAL . 1.5 m-80 -35.93 145.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.744 HG21 ' HA ' ' A' ' 121' ' ' PHE . 21.6 t -130.26 87.02 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 1.5 p90 -124.02 33.52 5.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 m -102.99 150.18 23.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.4 t -88.98 150.63 22.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.113 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.98 146.7 30.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.12 -32.08 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 t -83.13 -40.12 20.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m 55.83 25.02 7.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -113.88 113.69 25.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -64.57 141.68 58.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.549 HD22 ' CB ' ' A' ' 26' ' ' ASP . 30.1 mt -51.57 176.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 25' ' ' HIS . 7.3 m -110.89 150.86 28.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.09 -25.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' SER . 51.6 t60 -72.51 -56.33 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.549 ' CB ' HD22 ' A' ' 22' ' ' LEU . 46.7 m-20 -67.19 -54.02 24.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.592 ' HB2' HD11 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -45.51 -40.69 8.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.401 ' HG ' HD13 ' A' ' 42' ' ' ILE . 20.0 mt -81.24 -46.75 14.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.36 -35.97 41.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.537 ' CD2' ' HD2' ' A' ' 119' ' ' LYS . 18.0 t90 -62.99 -41.06 99.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.521 HG12 ' CG ' ' A' ' 37' ' ' LEU . 66.4 t -78.4 -39.53 24.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -65.22 -12.38 50.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -112.84 -38.49 4.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.7 m -53.94 -58.55 6.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.495 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 2.8 mt -116.1 16.93 15.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 62.59 53.2 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.522 HD12 ' CE2' ' A' ' 39' ' ' TYR . 3.2 mm? -83.07 165.1 19.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -127.93 38.82 3.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.522 ' CE2' HD12 ' A' ' 37' ' ' LEU . 25.0 m-85 -85.86 128.38 34.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 42.2 p -102.42 -3.39 27.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.137 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -145.76 130.59 18.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.592 HD11 ' HB2' ' A' ' 27' ' ' MET . 7.3 mm -48.48 -39.81 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.22 -41.42 62.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' CYS . 10.4 mm100 -46.36 -50.18 16.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.44 HD13 HD13 ' A' ' 115' ' ' ILE . 14.4 mt -40.0 -27.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 47' ' ' SER . 27.7 p -39.3 -40.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' CYS . 20.4 t -34.3 -49.61 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 103.71 -48.43 1.01 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -34.22 -45.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.344 . . . . 0.0 111.076 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.08 -64.27 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -46.6 -36.3 6.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.2 m -64.92 -58.83 5.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.476 ' HA ' HD11 ' A' ' 65' ' ' LEU . 36.6 tt0 -51.6 -25.36 6.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -69.26 -45.91 68.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 29.0 mmm -48.64 -37.81 19.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -68.07 -41.57 81.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 8.4 tpp -59.14 -53.49 57.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.716 HD21 ' CD2' ' A' ' 122' ' ' PHE . 9.9 mt -75.18 -66.96 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 2.7 m-85 -104.09 95.82 8.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.684 0.754 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.74 142.77 48.92 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.97 23.25 78.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.528 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.4 m -113.01 -27.97 7.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 0.0 110.88 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.9 p -121.73 152.27 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.423 ' O ' HG23 ' A' ' 68' ' ' VAL . 4.9 t-160 -109.59 97.04 6.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.476 HD11 ' HA ' ' A' ' 53' ' ' GLN . 3.3 mp -66.19 -35.86 81.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -49.43 -42.68 43.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.824 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -79.08 -14.0 59.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 64' ' ' HIS . 61.6 t -80.55 143.49 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.585 ' HD2' ' CD2' ' A' ' 80' ' ' HIS . 3.4 mtpm? -108.51 105.27 14.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -73.4 -41.96 62.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.507 HE22 ' NE ' ' A' ' 137' ' ' ARG . 22.5 mp0 -82.29 39.75 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.17 127.37 32.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 7.2 tmtm? -126.73 -36.06 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.6 mt -78.53 161.79 26.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.446 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 34.4 tt0 -62.56 -63.11 1.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.419 ' NE2' ' HG3' ' A' ' 77' ' ' GLU . 5.4 p80 -45.8 -39.01 7.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.419 ' HG3' ' NE2' ' A' ' 76' ' ' HIS . 48.1 mt-10 -57.66 -38.76 75.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.446 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.4 m-85 -59.64 -39.59 84.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 82' ' ' PHE . 3.5 mp -67.08 -55.34 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.585 ' CD2' ' HD2' ' A' ' 69' ' ' LYS . 80.9 t60 -40.12 -51.09 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.98 -36.23 67.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.456 ' CG ' HG22 ' A' ' 100' ' ' VAL . 15.5 m-85 -77.31 -33.88 55.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -52.01 -60.17 3.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.1 p -61.9 -32.84 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.7 tp -65.16 -41.45 94.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.402 ' NE2' ' HB ' ' A' ' 98' ' ' ILE . 8.1 mm-40 -52.47 -37.33 56.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.04 -40.69 94.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.36 -34.16 74.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -65.77 -54.14 31.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 91' ' ' LYS . 66.5 mmtt -66.54 -44.39 82.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 90' ' ' LYS . 25.4 mttp -33.53 -57.84 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.471 ' CG ' HG23 ' A' ' 94' ' ' VAL . 5.4 ptm -76.89 -46.71 23.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.92 37.93 0.34 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.561 HG12 ' H ' ' A' ' 96' ' ' LYS . 67.1 t -73.19 123.45 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.354 . . . . 0.0 111.144 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -90.89 36.98 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.561 ' H ' HG12 ' A' ' 94' ' ' VAL . 50.7 tptt -123.92 111.36 15.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 82.3 mt -68.37 145.76 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.404 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 69.7 mt -105.39 101.07 29.29 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.727 . . . . 0.0 111.184 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 98' ' ' ILE . 53.6 Cg_endo -69.73 79.73 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.732 2.288 . . . . 0.0 112.312 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.456 HG22 ' CG ' ' A' ' 82' ' ' PHE . 97.2 t -70.75 -53.73 20.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -49.59 -29.84 7.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -95.48 -35.48 11.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 103' ' ' LEU . 11.6 mt -63.99 -52.35 59.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.2 m -51.43 -28.47 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -56.89 -28.99 62.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 78.37 32.93 41.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.458 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 109' ' ' GLN . 60.6 mmtt -76.06 103.33 6.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.333 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.539 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 3.0 t80 -37.48 -32.75 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 107' ' ' LYS . 5.8 tp60 -75.51 -70.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -47.06 -21.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.452 ' O ' HG22 ' A' ' 115' ' ' ILE . 3.7 m-80 -81.94 -42.88 18.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.545 ' CE1' HG13 ' A' ' 42' ' ' ILE . 1.9 m-85 -53.2 -47.75 68.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -55.46 -48.55 74.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -60.06 -70.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.452 HG22 ' O ' ' A' ' 111' ' ' ASN . 9.6 tp -51.13 -35.81 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.495 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 4.0 tp-100 -57.55 -57.29 13.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.486 ' HA ' ' CD ' ' A' ' 120' ' ' LYS . 18.3 t90 -71.8 -21.91 61.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -64.98 -31.09 72.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.537 ' HD2' ' CD2' ' A' ' 30' ' ' TRP . 17.5 tptm -71.45 -55.86 7.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.486 ' CD ' ' HA ' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -59.7 -39.84 85.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.917 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.744 ' HA ' HG21 ' A' ' 12' ' ' VAL . 19.0 t80 -68.9 -32.99 73.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.716 ' CD2' HD21 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -70.02 -36.26 74.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -76.02 -37.74 58.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -55.19 -33.68 63.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.092 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.441 ' OD1' HG23 ' A' ' 10' ' ' VAL . 24.4 m-80 -98.02 -47.95 5.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -41.29 144.46 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -130.48 -44.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 143.47 72.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.81 145.7 49.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -80.3 132.24 35.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -137.74 140.07 40.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.504 ' CB ' HD12 ' A' ' 135' ' ' LEU . 3.8 m120 -106.59 97.58 17.42 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.57 0.7 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 132' ' ' ASN . 53.8 Cg_endo -69.7 -24.02 30.4 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.691 2.26 . . . . 0.0 112.358 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 12.1 mt -77.12 -53.54 7.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.504 HD12 ' CB ' ' A' ' 132' ' ' ASN . 41.9 mt -52.99 -41.8 64.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -39.1 -38.64 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.507 ' NE ' HE22 ' A' ' 71' ' ' GLN . 21.6 mmm180 -96.23 -46.4 6.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 137' ' ' ARG . 19.5 mm-40 -34.2 146.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -150.94 -38.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.454 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.528 ' H ' ' NE2' ' A' ' 140' ' ' GLN . 0.4 OUTLIER -149.28 143.05 25.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 -179.869 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.83 -43.43 54.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.9 t -37.7 -54.46 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -42.38 131.84 2.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.645 0.735 . . . . 0.0 111.087 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 144.68 54.89 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.341 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 163.32 38.74 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.295 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 174.03 10.05 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -113.15 142.15 26.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.627 0.727 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -0.46 6.9 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.643 2.229 . . . . 0.0 112.393 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 114.95 -74.39 0.25 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -65.89 122.48 17.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 110.945 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -96.47 145.13 25.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 4.4 mp -76.83 112.04 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -69.3 139.39 54.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 94.0 p -137.52 134.21 35.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -82.35 -157.35 21.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -33.95 15.65 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.6 m -137.54 162.45 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 17.3 m -105.36 120.96 42.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.539 -0.225 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 m -98.45 -65.44 0.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.37 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 p -76.71 139.0 40.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.56 46.09 3.44 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.515 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -86.68 67.74 9.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 110.84 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.7 m -62.61 100.63 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.62 128.68 1.56 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.536 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.446 ' O ' ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -111.89 157.44 20.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.911 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.668 ' CB ' HG22 ' A' ' 94' ' ' VAL . . . -111.15 109.18 19.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.039 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.6 t -90.01 106.75 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -54.1 139.14 35.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.561 HG11 ' HB2' ' A' ' 120' ' ' LYS . 38.6 t -122.79 112.04 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -118.46 79.06 1.33 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.1 p -146.66 168.47 21.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.1 t -138.41 165.57 26.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.2 m -67.28 109.51 3.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.6 m -123.81 -174.69 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.1 p 51.2 36.02 14.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m 56.1 25.04 8.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -108.95 118.25 36.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -158.67 136.2 10.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.1 mt -88.07 160.64 17.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -130.25 178.58 6.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.452 ' HA ' HD11 ' A' ' 42' ' ' ILE . 13.3 ptt180 -43.0 -43.76 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -63.89 -70.83 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.441 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 74.2 m-20 -45.49 -66.43 0.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.6 mtp -41.57 -54.99 3.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.497 ' O ' ' ND2' ' A' ' 32' ' ' ASN . 42.7 mt -56.46 -29.77 62.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 26' ' ' ASP . . . -71.76 -41.2 68.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.061 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.579 ' CE3' ' HG2' ' A' ' 119' ' ' LYS . 16.7 t90 -62.21 -51.19 68.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.475 HG23 ' CE3' ' A' ' 30' ' ' TRP . 99.4 t -68.56 -32.57 55.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 28' ' ' LEU . 77.4 m-20 -70.47 -15.98 62.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -109.63 -23.51 11.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -67.03 -66.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.526 HD11 ' CD2' ' A' ' 54' ' ' PHE . 0.9 OUTLIER -107.84 19.09 20.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 62.65 54.93 2.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.483 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 1.3 mm? -89.05 161.74 16.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -131.14 43.75 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -82.02 121.98 27.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.628 HG23 ' HG3' ' A' ' 41' ' ' LYS . 9.5 t -88.15 -12.4 44.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.189 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.628 ' HG3' HG23 ' A' ' 40' ' ' THR . 6.6 mtpm? -148.04 140.82 24.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.466 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 4.6 mm -51.0 -47.38 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -44.18 -37.17 3.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' CYS . 10.8 mm100 -50.19 -49.06 53.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.627 HD13 HD13 ' A' ' 115' ' ' ILE . 21.9 mt -41.94 -23.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' GLN . 23.0 p -47.59 -38.41 14.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' CYS . 68.5 p -34.18 -47.9 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.7 -37.29 3.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.458 ' HA ' ' CG1' ' A' ' 68' ' ' VAL . . . -44.61 -50.8 9.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.762 0.315 . . . . 0.0 111.075 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.7 -66.1 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.07 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -42.63 -33.46 0.72 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.442 ' HA ' HD13 ' A' ' 85' ' ' LEU . 36.9 m -71.46 -50.64 29.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -54.85 -25.31 27.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.526 ' CD2' HD11 ' A' ' 35' ' ' LEU . 11.8 m-85 -70.73 -48.89 52.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 69.3 mmm -50.81 -35.79 34.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -66.51 -48.1 70.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.4 ttm -57.55 -59.36 5.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.9 mt -64.92 -62.31 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.576 ' CZ ' ' HE1' ' A' ' 92' ' ' MET . 2.1 m-85 -107.96 96.43 17.65 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.679 0.752 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 54.3 Cg_endo -69.75 144.11 53.02 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.244 . . . . 0.0 112.339 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.86 28.63 72.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 23.0 m -116.88 -26.56 6.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.564 HG13 HD13 ' A' ' 65' ' ' LEU . 8.5 p -123.22 148.97 26.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.507 ' HB3' HG21 ' A' ' 84' ' ' VAL . 1.8 t60 -104.32 93.81 5.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.564 HD13 HG13 ' A' ' 63' ' ' VAL . 3.9 mp -67.81 -27.94 67.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.456 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -56.43 -39.61 73.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.499 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 10.6 mtpt -83.32 -13.33 55.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.458 ' CG1' ' HA ' ' A' ' 49' ' ' ALA . 66.8 t -79.39 134.33 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 1.5 mtpt -88.24 107.44 18.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -80.41 -24.95 39.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -109.94 36.27 3.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.44 130.03 34.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 pttm -127.16 -36.61 2.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.3 mt -87.43 169.74 11.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.581 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 34.7 tt0 -68.53 -53.66 21.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -54.25 -28.9 44.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -70.43 -23.98 62.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.581 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 20.8 m-85 -72.47 -31.0 65.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.586 HG13 HG11 ' A' ' 104' ' ' VAL . 5.2 mp -83.06 -37.47 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.499 ' CD2' ' O ' ' A' ' 67' ' ' LYS . 77.1 t60 -46.72 -62.25 1.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -53.35 -33.58 54.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.796 ' CD2' HG13 ' A' ' 100' ' ' VAL . 4.5 m-85 -72.85 -34.17 66.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -56.37 -69.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.507 HG21 ' HB3' ' A' ' 64' ' ' HIS . 7.1 p -52.35 -36.13 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 52' ' ' CYS . 27.4 tp -60.94 -46.2 91.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.424 ' NE2' ' HB ' ' A' ' 98' ' ' ILE . 12.3 mm-40 -51.05 -36.52 40.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.12 -44.78 96.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.78 -35.05 68.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.066 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.421 ' O ' HG23 ' A' ' 94' ' ' VAL . 2.7 m-85 -60.22 -56.23 24.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 91' ' ' LYS . 0.6 OUTLIER -66.81 -40.02 87.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 90' ' ' LYS . 4.6 mtpm? -35.2 -50.55 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.576 ' HE1' ' CZ ' ' A' ' 59' ' ' PHE . 4.7 ptm -88.15 -46.09 9.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 134.81 47.07 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.668 HG22 ' CB ' ' A' ' 9' ' ' ALA . 38.4 t -91.35 114.44 28.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 111.159 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.26 29.53 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.573 ' H ' HG12 ' A' ' 94' ' ' VAL . 6.5 tmtt? -106.13 105.12 15.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.8 mm -66.37 131.32 32.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.424 ' HB ' ' NE2' ' A' ' 86' ' ' GLN . 80.2 mt -93.11 107.09 22.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.738 . . . . 0.0 111.15 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 98' ' ' ILE . 53.5 Cg_endo -69.74 82.54 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.796 HG13 ' CD2' ' A' ' 82' ' ' PHE . 25.7 t -74.62 -62.87 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -40.64 -25.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 100' ' ' VAL . 19.8 mttt -97.92 -50.52 4.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.0 mt -52.61 -48.73 66.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.586 HG11 HG13 ' A' ' 79' ' ' ILE . 25.1 m -52.97 -37.36 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -53.37 -23.58 9.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.17 36.46 60.17 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 109' ' ' GLN . 6.4 mmmm -78.15 101.01 6.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.515 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 2.5 t80 -35.27 -31.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 107' ' ' LYS . 2.9 tm0? -76.64 -72.55 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.33 -22.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 109' ' ' GLN . 2.7 m-80 -81.58 -47.91 12.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.515 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 2.8 m-85 -48.73 -49.17 39.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -56.72 -44.71 81.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -60.77 -70.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.627 HD13 HD13 ' A' ' 45' ' ' LEU . 8.8 tp -51.9 -38.67 23.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.449 ' CG ' ' O ' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -46.72 -50.35 18.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.452 ' CH2' ' HG3' ' A' ' 96' ' ' LYS . 11.2 t90 -81.62 -39.64 24.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -47.27 -41.94 19.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.579 ' HG2' ' CE3' ' A' ' 30' ' ' TRP . 1.8 tmtt? -55.41 -40.52 71.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.561 ' HB2' HG11 ' A' ' 12' ' ' VAL . 23.9 mttt -71.87 -44.89 63.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -51.55 -28.71 14.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.586 ' CE1' ' CD2' ' A' ' 126' ' ' TYR . 5.1 t80 -73.24 -43.44 61.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -75.13 -25.99 58.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.45 -32.43 73.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -108.27 -48.13 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.586 ' CD2' ' CE1' ' A' ' 122' ' ' PHE . 19.2 t80 -54.32 101.62 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -86.21 -44.79 11.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 162.31 50.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.28 147.63 31.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -88.05 144.95 26.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -143.32 155.28 44.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.409 ' HA ' ' HD2' ' A' ' 133' ' ' PRO . 4.6 m120 -115.93 95.19 43.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.71 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 132' ' ' ASN . 53.3 Cg_endo -69.77 -16.79 37.67 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.702 2.268 . . . . 0.0 112.289 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 20.9 mt -84.71 -51.15 7.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 72.0 mt -53.87 -44.48 70.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -42.35 -41.05 2.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.082 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.94 -40.87 12.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -38.6 110.67 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -166.87 -56.56 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 142' ' ' VAL . 0.6 OUTLIER -97.06 63.77 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.765 0.317 . . . . 0.0 110.889 -179.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -41.0 -24.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 140' ' ' GLN . 97.6 t -47.38 -60.31 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.92 139.72 90.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.579 0.704 . . . . 0.0 111.126 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 168.43 21.63 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.685 2.256 . . . . 0.0 112.321 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 146.79 61.37 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.325 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 158.82 55.64 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.26 . . . . 0.0 112.309 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -174.2 136.55 0.63 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.586 0.708 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 81.74 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.662 2.241 . . . . 0.0 112.391 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -52.01 -81.57 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.34 155.18 7.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.751 0.31 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -152.54 133.61 14.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 57.9 mt -142.84 117.88 4.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -159.31 166.19 31.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 40.5 m 54.95 42.46 31.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -153.92 140.34 7.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.455 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 167.92 23.03 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.698 2.265 . . . . 0.0 112.319 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 41.3 p -139.21 171.24 14.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 90.8 p -163.93 166.86 21.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.518 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.0 m -105.14 134.01 48.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.852 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -132.57 130.74 40.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.62 102.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 t -47.06 155.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.7 p -127.78 179.6 5.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.35 138.9 6.67 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.482 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.0 mmt -116.91 163.14 16.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.339 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.71 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . -81.02 165.5 21.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 11' ' ' ASN . 76.9 t -130.18 85.88 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.551 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 2.0 m-80 -34.35 108.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.8 t -74.43 98.38 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 11' ' ' ASN . 22.0 m-85 -131.01 50.96 2.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.6 m -154.59 174.11 15.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.3 p -103.16 65.68 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.123 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.2 m -94.55 48.36 1.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.47 167.49 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -126.06 -11.33 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.3 t -128.86 142.6 50.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -42.14 -63.13 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -167.42 131.23 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.31 164.23 7.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 24' ' ' ARG . 6.3 m -118.47 160.63 21.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 23' ' ' SER . 20.7 ptt180 -36.73 -49.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 26' ' ' ASP . 22.3 t60 -59.34 -69.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 5.9 m-20 -37.13 -63.54 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.487 ' HE1' HG13 ' A' ' 115' ' ' ILE . 5.0 mtp -48.44 -66.35 0.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.614 HD11 ' HA ' ' A' ' 41' ' ' LYS . 23.8 mt -43.45 -31.19 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 26' ' ' ASP . . . -75.88 -36.06 59.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.108 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.54 ' CE3' ' HD3' ' A' ' 119' ' ' LYS . 3.1 t90 -67.47 -51.48 50.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.4 t -67.94 -34.61 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.444 ' CG ' ' O ' ' A' ' 28' ' ' LEU . 79.6 m-20 -64.39 -22.53 66.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -105.35 -17.93 14.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.1 m -72.77 -65.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.576 HD11 ' CD2' ' A' ' 54' ' ' PHE . 3.2 mt -105.61 16.51 25.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 63.41 55.03 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.51 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 1.1 mm? -90.96 161.27 15.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -129.39 43.22 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -84.7 129.94 34.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.552 HG23 ' HG3' ' A' ' 41' ' ' LYS . 14.5 t -95.91 -5.93 40.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.162 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.614 ' HA ' HD11 ' A' ' 28' ' ' LEU . 37.2 mttm -155.25 140.18 17.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.505 HG13 ' CE1' ' A' ' 112' ' ' PHE . 4.9 mm -49.34 -47.66 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -42.97 -38.22 2.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' CYS . 12.8 mm100 -51.17 -47.94 62.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 46' ' ' CYS . 14.4 mt -39.67 -27.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' GLN . 29.0 p -37.56 -38.73 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.448 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 5.0 t -38.57 -46.51 1.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 94.82 -42.61 2.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.21 -42.03 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.771 0.32 . . . . 0.0 111.061 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.71 -53.76 54.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -51.46 -35.81 41.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.44 ' HA ' HD13 ' A' ' 85' ' ' LEU . 46.3 m -64.57 -55.57 19.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.471 ' HG2' HD22 ' A' ' 35' ' ' LEU . 15.6 tt0 -52.41 -28.97 22.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.915 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.576 ' CD2' HD11 ' A' ' 35' ' ' LEU . 9.3 m-85 -67.46 -33.88 76.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 84.0 mmm -68.13 -29.81 68.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -79.47 -38.66 34.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.1 ptm -68.22 -38.82 82.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.471 HD21 ' CD2' ' A' ' 122' ' ' PHE . 21.8 mt -84.13 -60.59 2.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.427 ' CG ' ' HE1' ' A' ' 92' ' ' MET . 0.2 OUTLIER -113.32 98.75 47.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.662 0.744 . . . . 0.0 110.911 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.75 143.77 51.95 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.369 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.63 24.49 76.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.513 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.7 m -115.5 -34.84 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.3 p -119.03 151.06 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -111.03 98.52 7.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.42 HD21 ' HG3' ' A' ' 53' ' ' GLN . 4.1 mp -66.54 -27.85 68.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -42.87 65.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.14 -13.31 59.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.6 t -81.65 143.62 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.169 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -107.8 107.31 18.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -76.15 -37.94 57.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -86.35 33.48 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.59 131.11 46.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.79 -32.94 1.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 76.4 mt -80.5 168.42 18.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.407 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 38.3 tt0 -70.41 -57.38 4.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -53.41 -32.61 50.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -61.84 -36.37 81.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.448 ' CD1' ' HA ' ' A' ' 47' ' ' SER . 24.0 m-85 -63.99 -37.64 88.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.539 ' CD1' HG11 ' A' ' 104' ' ' VAL . 3.5 mp -69.47 -49.37 60.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -46.88 -54.41 10.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.96 -32.92 48.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.589 ' CG ' HG22 ' A' ' 100' ' ' VAL . 12.4 m-85 -74.96 -41.59 59.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -44.91 -63.69 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.2 p -56.68 -39.06 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 52' ' ' CYS . 22.1 tp -58.59 -43.09 89.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -55.05 -38.14 67.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.64 -43.95 85.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.81 -35.44 72.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -62.31 -56.85 14.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 91' ' ' LYS . 43.6 mmtm -64.25 -42.24 96.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 90' ' ' LYS . 9.2 mtpp -37.58 -45.67 0.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.71 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 10.7 ptp -89.01 -48.05 7.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.417 ' N ' ' HG3' ' A' ' 92' ' ' MET . . . 134.67 30.78 0.37 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.5 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.695 HG12 ' H ' ' A' ' 96' ' ' LYS . 62.1 t -71.94 117.07 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.119 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -87.79 27.28 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.695 ' H ' HG12 ' A' ' 94' ' ' VAL . 4.0 tmtm? -108.74 107.42 17.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.473 ' H ' HD12 ' A' ' 97' ' ' ILE . 5.0 mp -69.0 140.13 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.419 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 70.5 mt -99.54 107.29 44.71 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.618 0.723 . . . . 0.0 111.111 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 98' ' ' ILE . 53.4 Cg_endo -69.76 78.91 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.712 2.275 . . . . 0.0 112.31 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.589 HG22 ' CG ' ' A' ' 82' ' ' PHE . 32.4 t -66.61 -71.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 100' ' ' VAL . 2.3 mm-40 -31.11 -37.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 100' ' ' VAL . 16.7 mmtt -83.66 -60.35 2.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.3 mt -42.74 -53.96 4.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.539 HG11 ' CD1' ' A' ' 79' ' ' ILE . 35.8 m -43.53 -45.98 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.513 ' N ' HG23 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -49.87 -38.17 34.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.54 27.9 18.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 109' ' ' GLN . 8.3 mtpm? -64.29 102.08 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.834 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.497 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 3.3 t80 -37.76 -28.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 107' ' ' LYS . 6.6 tp60 -80.83 -70.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -46.36 -20.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 109' ' ' GLN . 3.4 m-80 -83.95 -40.68 18.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.505 ' CE1' HG13 ' A' ' 42' ' ' ILE . 3.4 m-85 -55.58 -47.85 75.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -55.22 -42.5 73.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -66.1 -69.02 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.487 HG13 ' HE1' ' A' ' 27' ' ' MET . 9.0 tp -53.5 -30.09 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.487 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 6.5 tp60 -60.15 -50.65 72.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.491 ' HA ' ' CD ' ' A' ' 120' ' ' LYS . 3.6 t90 -84.4 -14.91 48.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -68.14 -31.42 70.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.54 ' HD3' ' CE3' ' A' ' 30' ' ' TRP . 16.8 tptp -70.56 -58.05 4.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.491 ' CD ' ' HA ' ' A' ' 117' ' ' TRP . 4.3 ptmt -54.35 -41.86 69.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.462 ' HE1' ' HB1' ' A' ' 9' ' ' ALA . 38.9 t80 -67.08 -33.57 75.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.471 ' CD2' HD21 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -64.21 -42.83 96.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -75.47 -30.77 60.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.811 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.19 -23.19 62.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -114.52 -45.65 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.509 ' CE2' ' HA2' ' A' ' 128' ' ' GLY . 61.6 t80 -44.11 107.45 0.09 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -78.23 -45.11 23.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.509 ' HA2' ' CE2' ' A' ' 126' ' ' TYR . . . 139.57 49.38 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.33 132.86 54.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.762 0.315 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -66.69 126.85 30.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -123.48 128.41 49.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.567 ' HB2' HD12 ' A' ' 135' ' ' LEU . 3.0 m120 -94.44 105.39 17.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.56 0.695 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -28.83 24.53 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.691 2.261 . . . . 0.0 112.341 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.46 -54.37 7.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.567 HD12 ' HB2' ' A' ' 132' ' ' ASN . 85.2 mt -42.0 -39.01 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -47.05 -41.54 16.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 138' ' ' GLN . 10.7 mtp-105 -90.39 -42.82 10.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 137' ' ' ARG . 40.0 mm-40 -34.2 130.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -167.32 -54.38 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.451 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.64 ' H ' ' NE2' ' A' ' 140' ' ' GLN . 0.0 OUTLIER -101.11 169.76 8.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.884 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -95.22 -34.28 12.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.3 t -40.58 -66.3 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -43.33 135.73 3.19 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.546 0.688 . . . . 0.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 144.5 54.15 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.705 2.27 . . . . 0.0 112.328 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 164.5 34.35 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 178.94 4.04 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.695 2.263 . . . . 0.0 112.372 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -152.19 132.19 7.18 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.721 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 -161.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.689 2.259 . . . . 0.0 112.374 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 110.87 93.91 2.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -144.69 164.45 30.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.776 0.322 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.44 164.36 18.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.958 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 3.1 tp -98.16 129.77 47.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -149.55 137.99 20.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.5 t -170.6 105.14 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -97.13 173.39 28.95 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 140.28 42.21 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.271 . . . . 0.0 112.356 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.2 m -164.69 131.3 2.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.3 t -141.75 120.12 12.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -113.7 117.73 32.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.884 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 m -134.04 145.48 49.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.88 -98.15 0.55 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -60.46 138.92 57.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.858 0.361 . . . . 0.0 110.839 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 t -72.56 157.27 37.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.35 104.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.71 175.03 8.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.675 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . -102.93 160.04 14.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.0 t -123.69 90.69 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -38.12 119.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.808 HG11 ' HG3' ' A' ' 120' ' ' LYS . 6.3 t -95.2 109.22 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -122.37 75.69 1.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.3 p -165.08 154.6 12.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.7 t -96.84 148.55 22.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.112 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.3 t -51.16 143.68 10.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 18' ' ' THR . 8.1 p -70.13 139.83 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 17' ' ' VAL . 24.4 p 35.4 38.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.9 t -174.52 174.46 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -106.14 -46.66 4.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.475 ' HB2' ' NE2' ' A' ' 116' ' ' GLN . 4.2 p-10 -173.75 150.35 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.8 mt -54.13 -175.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 24' ' ' ARG . 2.4 m -124.09 162.14 24.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 23' ' ' SER . 18.2 mtm-85 -33.18 -68.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -39.52 -70.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 29' ' ' ALA . 5.8 m-20 -48.37 -63.52 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 26' ' ' ASP . 2.9 mmt -35.43 -43.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.409 HD11 ' CA ' ' A' ' 41' ' ' LYS . 31.3 mt -79.33 -36.27 39.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -61.7 -40.0 93.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.524 ' CD2' ' HD2' ' A' ' 119' ' ' LYS . 16.7 t90 -56.13 -55.15 36.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.47 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 46.4 t -70.86 -38.0 70.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -63.09 -11.66 21.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -115.26 -34.09 5.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.0 m -54.81 -64.96 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.501 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 3.0 mt -107.13 17.02 23.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 64.46 50.91 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.501 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 3.0 mm? -84.64 163.7 19.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -128.79 39.44 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.471 ' CE2' HD12 ' A' ' 37' ' ' LEU . 24.2 m-85 -82.43 118.96 23.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 66.7 p -89.17 -11.3 44.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.128 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' CA ' HD11 ' A' ' 28' ' ' LEU . 32.1 mttm -140.49 133.24 28.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.567 HG13 ' CE1' ' A' ' 112' ' ' PHE . 20.7 mm -48.19 -39.41 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -51.58 -37.38 49.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 46' ' ' CYS . 20.3 mm-40 -46.31 -51.06 15.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.421 ' CD1' HD13 ' A' ' 115' ' ' ILE . 23.8 mt -39.01 -26.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 44' ' ' GLN . 28.5 p -41.8 -40.15 1.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' CYS . 26.2 m -33.98 -44.07 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.787 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 99.86 -51.95 1.04 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -34.07 -60.09 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.826 0.346 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.37 -59.21 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -49.55 -43.2 45.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.4 ' HA ' HD13 ' A' ' 85' ' ' LEU . 9.7 m -64.22 -52.84 56.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.501 ' NE2' HD22 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -53.36 -27.23 22.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.48 ' CG ' HD11 ' A' ' 35' ' ' LEU . 9.2 m-85 -69.59 -46.37 66.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 43.3 mmm -46.17 -38.81 8.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.11 -39.5 75.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.836 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.2 tpp -55.2 -50.13 70.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.578 HD11 ' HA ' ' A' ' 122' ' ' PHE . 41.1 mt -82.51 -62.91 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.411 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 1.5 m-85 -102.68 96.83 8.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.731 . . . . 0.0 110.874 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.9 Cg_endo -69.75 142.44 47.97 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.669 2.246 . . . . 0.0 112.389 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.77 26.5 73.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.456 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.0 m -111.63 -37.41 5.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.839 0.352 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.543 HG13 HD13 ' A' ' 65' ' ' LEU . 9.4 p -112.91 146.6 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -99.96 93.32 5.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.543 HD13 HG13 ' A' ' 63' ' ' VAL . 2.0 mp -62.31 -38.44 89.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.83 -45.58 7.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -75.68 -25.18 56.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 92.9 t -66.65 133.31 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.555 ' HE2' ' CD2' ' A' ' 80' ' ' HIS . 35.1 mttm -100.75 105.59 16.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.557 ' CD2' ' HG3' ' A' ' 137' ' ' ARG . 3.6 m-85 -73.88 -46.37 45.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -81.98 40.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.44 125.46 26.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.098 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.8 tttm -123.79 -37.78 2.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.8 mt -77.97 163.76 25.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -63.87 -63.04 1.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -47.92 -37.07 13.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -55.83 -40.96 73.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -60.51 -40.23 90.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 82' ' ' PHE . 3.5 mp -67.06 -53.28 35.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.555 ' CD2' ' HE2' ' A' ' 69' ' ' LYS . 39.9 t60 -39.72 -49.68 2.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.56 -33.15 73.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.569 ' CD2' HG13 ' A' ' 100' ' ' VAL . 12.8 m-85 -74.58 -36.9 63.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -53.0 -59.74 4.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.1 p -58.16 -36.15 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 52' ' ' CYS . 33.5 tp -60.43 -48.67 80.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.45 ' NE2' ' HB ' ' A' ' 98' ' ' ILE . 11.3 mm-40 -45.95 -40.14 9.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.05 77.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.36 87.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.446 ' CG ' HD11 ' A' ' 98' ' ' ILE . 3.4 m-85 -65.24 -41.55 94.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 91' ' ' LYS . 26.1 mmtp -75.62 -39.12 58.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 90' ' ' LYS . 14.4 mtpt -34.24 -37.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.675 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 15.3 ptp -105.32 -46.74 4.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.92 24.25 0.81 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.528 HG12 ' H ' ' A' ' 96' ' ' LYS . 57.6 t -52.89 113.67 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 0.0 111.168 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -83.44 35.04 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.528 ' H ' HG12 ' A' ' 94' ' ' VAL . 2.5 tmtm? -113.63 86.23 2.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.408 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 28.2 mm -47.15 135.7 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.099 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.45 ' HB ' ' NE2' ' A' ' 86' ' ' GLN . 67.4 mt -101.07 98.53 8.85 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.632 0.73 . . . . 0.0 111.11 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 97' ' ' ILE . 53.8 Cg_endo -69.74 81.68 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.36 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.779 ' O ' HG22 ' A' ' 104' ' ' VAL . 65.7 t -72.07 -56.96 8.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -41.83 -24.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 100' ' ' VAL . 18.1 mttt -101.27 -53.98 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 28.2 mt -46.54 -44.8 18.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 100' ' ' VAL . 18.5 m -60.28 -36.3 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -42.91 -33.21 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.26 31.5 19.5 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -77.57 -177.57 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.558 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 2.0 t80 -113.64 -33.85 5.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -69.23 -70.82 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.29 -23.3 1.34 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.776 ' O ' HG22 ' A' ' 115' ' ' ILE . 2.4 m-80 -79.99 -33.86 39.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.567 ' CE1' HG13 ' A' ' 42' ' ' ILE . 2.2 m-85 -63.35 -48.15 79.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -56.77 -56.34 22.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -49.42 -70.99 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.776 HG22 ' O ' ' A' ' 111' ' ' ASN . 8.2 tp -52.51 -41.73 37.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.152 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 4.8 tp-100 -49.56 -54.8 16.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.454 ' CZ3' ' HG3' ' A' ' 96' ' ' LYS . 16.6 t90 -68.48 -47.44 67.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -47.37 -20.3 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.524 ' HD2' ' CD2' ' A' ' 30' ' ' TRP . 22.2 tptp -62.79 -61.78 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.808 ' HG3' HG11 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -69.84 -32.53 70.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.861 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -60.68 -29.37 69.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.578 ' HA ' HD11 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -74.57 -49.02 23.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.404 ' N ' ' CD1' ' A' ' 122' ' ' PHE . 24.1 m-20 -66.64 -37.13 84.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.35 -40.81 50.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -94.23 -45.52 7.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.455 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 33.4 t80 -51.99 145.67 9.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -134.49 -49.68 0.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 167.34 51.92 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.521 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.74 110.11 19.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.759 0.314 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -54.1 151.85 6.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.863 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.427 ' CE1' ' OE1' ' A' ' 53' ' ' GLN . 58.2 t80 -155.18 127.76 7.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.465 ' ND2' ' HG ' ' A' ' 135' ' ' LEU . 0.1 OUTLIER -96.35 105.2 20.82 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.651 0.738 . . . . 0.0 110.892 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 132' ' ' ASN . 54.1 Cg_endo -69.79 -29.77 23.21 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.673 2.249 . . . . 0.0 112.381 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 48.2 mt -66.6 -55.24 16.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.465 ' HG ' ' ND2' ' A' ' 132' ' ' ASN . 29.9 mt -52.62 -36.08 55.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -44.04 -45.25 7.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.06 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.557 ' HG3' ' CD2' ' A' ' 70' ' ' PHE . 27.0 mmm180 -118.93 47.29 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -103.38 157.49 16.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 162.85 -72.42 0.2 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.593 ' H ' ' NE2' ' A' ' 140' ' ' GLN . 0.2 OUTLIER -75.9 157.51 33.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.769 0.319 . . . . 0.0 110.931 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -90.21 -45.47 9.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 143' ' ' ALA . 92.7 t -40.13 -41.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 142' ' ' VAL . . . -34.97 137.53 0.38 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.586 0.708 . . . . 0.0 111.074 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 124.6 11.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.327 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 169.58 18.56 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.377 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 150.76 68.67 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.682 2.255 . . . . 0.0 112.329 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -110.2 118.68 48.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.719 . . . . 0.0 110.948 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' A' ' 150' ' ' ASP . 54.2 Cg_endo -69.71 6.71 1.19 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.691 2.261 . . . . 0.0 112.368 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -57.5 80.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 148' ' ' PRO . 24.0 t70 -132.58 149.94 52.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.757 0.313 . . . . 0.0 110.853 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.418 ' HG2' ' C ' ' A' ' 150' ' ' ASP . 18.9 pt20 38.2 32.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 153' ' ' PHE . 2.9 tp -93.14 142.12 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.454 ' N ' HG13 ' A' ' 152' ' ' ILE . 56.9 t80 -34.82 -48.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 13.3 t -55.35 134.98 50.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.795 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 126.64 -153.46 18.8 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 131.52 21.36 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.649 2.233 . . . . 0.0 112.331 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 71.1 m -82.32 85.81 6.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 60.6 p -98.29 173.15 7.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.7 p -105.6 168.24 9.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.354 . . . . 0.0 110.881 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -120.19 135.63 54.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.68 41.19 0.23 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 m -162.52 135.16 5.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.888 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 m -136.93 145.32 44.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.93 75.13 1.28 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.508 ' O ' ' CE1' ' A' ' 59' ' ' PHE . 4.0 ptp -145.26 161.73 38.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.721 ' HB2' HG22 ' A' ' 94' ' ' VAL . . . -105.6 151.94 23.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.076 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 12' ' ' VAL . 96.1 t -118.43 96.09 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -42.73 105.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.651 HG21 ' HA ' ' A' ' 121' ' ' PHE . 61.9 t -91.2 117.95 35.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -129.32 52.12 2.0 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 62.2 m -162.27 -179.81 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.4 p -140.85 137.67 33.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.3 m -130.4 83.01 2.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 p -170.96 140.73 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.095 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 19' ' ' SER . 68.4 p -37.58 -73.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.414 ' N ' ' OG1' ' A' ' 18' ' ' THR . 1.6 t -70.15 165.38 22.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.836 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -44.74 -33.76 2.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -168.03 159.84 11.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.5 mt -58.91 160.6 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.9 m -104.68 177.37 4.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 -50.08 -48.25 53.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -53.1 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.18 -51.88 23.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.1 mmt -46.64 -50.52 17.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' A' ' 41' ' ' LYS . 24.5 mt -72.16 -31.4 65.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.13 88.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 34.8 t90 -55.08 -34.61 63.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.477 HG12 ' CG ' ' A' ' 37' ' ' LEU . 59.5 t -85.78 -38.32 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 -70.79 -6.21 36.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.23 -23.96 9.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.1 m -74.61 -62.35 1.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.664 ' C ' ' CD2' ' A' ' 36' ' ' HIS . 0.7 OUTLIER -113.35 36.65 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.779 ' CE1' HD23 ' A' ' 134' ' ' LEU . 6.5 p80 42.13 55.02 4.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.506 ' HA ' HD13 ' A' ' 37' ' ' LEU . 1.2 mm? -79.2 164.1 24.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -134.05 35.42 3.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.499 ' CE2' HD23 ' A' ' 45' ' ' LEU . 18.1 m-85 -75.42 131.57 40.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.0 m -91.37 -11.82 36.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.166 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.4 ' HA ' HD11 ' A' ' 28' ' ' LEU . 53.0 mttp -153.71 147.79 25.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.552 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 3.2 mm -52.75 -45.04 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -46.74 -38.5 10.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -50.03 -48.34 52.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.551 HD13 HD13 ' A' ' 115' ' ' ILE . 40.6 mt -41.32 -29.52 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 47' ' ' SER . 31.5 p -38.38 -35.83 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' CYS . 75.6 p -35.18 -42.66 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.22 -43.18 2.4 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -39.6 -51.56 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.309 . . . . 0.0 111.06 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.81 -63.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.087 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -42.55 -41.12 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.2 m -64.17 -53.25 52.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.479 ' HB3' HD13 ' A' ' 35' ' ' LEU . 20.7 tt0 -56.09 -20.27 16.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.942 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.448 ' CD2' HD11 ' A' ' 35' ' ' LEU . 9.8 m-85 -77.51 -44.69 27.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 38.8 mmm -52.41 -42.86 64.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -58.47 -49.46 77.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.525 ' HA ' ' CD2' ' A' ' 131' ' ' TYR . 3.3 ttm -58.18 -57.25 13.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.2 mt -64.04 -63.93 1.02 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.508 ' CE1' ' O ' ' A' ' 8' ' ' MET . 5.1 m-85 -112.51 96.08 34.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.603 0.716 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.9 Cg_endo -69.68 144.3 54.04 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.733 2.289 . . . . 0.0 112.369 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.25 17.38 78.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.543 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.7 t -110.51 -33.05 6.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.3 p -120.94 154.46 24.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.467 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 5.0 t-160 -111.46 105.7 14.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.468 HD11 ' HA ' ' A' ' 53' ' ' GLN . 1.9 mp -72.53 -23.96 61.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.467 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 7.8 tpt180 -60.38 -35.99 77.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -84.82 -13.7 50.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.6 t -75.54 137.43 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -105.05 99.87 9.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -74.59 -32.6 62.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -90.62 35.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.92 137.19 55.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -132.39 -33.51 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.4 mt -87.83 166.13 14.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.51 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 38.5 tt0 -63.65 -62.28 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.438 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 6.6 p80 -43.58 -42.41 5.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.438 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 16.3 mt-10 -54.17 -39.96 67.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.51 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 17.3 m-85 -58.81 -40.27 83.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.529 HG13 HG11 ' A' ' 104' ' ' VAL . 3.9 mp -69.87 -51.47 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 46.0 t60 -38.42 -54.2 1.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.4 -41.31 84.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.556 ' CD2' HG13 ' A' ' 100' ' ' VAL . 11.5 m-85 -60.44 -46.52 89.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.408 ' HD2' ' HA ' ' A' ' 80' ' ' HIS . 2.5 mtpt -44.94 -67.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.6 p -49.14 -37.64 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.4 tp -65.8 -37.07 85.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -55.63 -43.15 75.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.73 -40.99 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.21 -30.25 70.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -70.92 -56.76 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 91' ' ' LYS . 24.4 mmtp -64.12 -41.99 97.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 90' ' ' LYS . 42.7 mttm -37.06 -39.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.531 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 7.3 ptp -98.75 -42.16 7.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 124.4 22.68 2.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.721 HG22 ' HB2' ' A' ' 9' ' ' ALA . 81.2 t -51.71 117.43 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 111.075 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -83.1 37.67 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.581 ' H ' HG12 ' A' ' 94' ' ' VAL . 29.3 tptt -131.89 104.27 6.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 26.4 mm -66.89 143.88 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.409 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 72.6 mt -96.6 104.74 19.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 98' ' ' ILE . 53.9 Cg_endo -69.76 80.1 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.384 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.556 HG13 ' CD2' ' A' ' 82' ' ' PHE . 84.0 t -72.65 -60.48 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.053 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -37.27 -28.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 100' ' ' VAL . 18.2 mttt -98.53 -55.13 2.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 103' ' ' LEU . 12.5 mt -44.45 -50.9 9.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 100' ' ' VAL . 35.8 m -50.36 -38.98 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -53.43 -36.87 62.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 88.53 28.27 22.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.493 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 109' ' ' GLN . 42.0 mttp -67.59 103.61 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.552 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 1.8 t80 -38.53 -29.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 107' ' ' LYS . 1.9 tm0? -75.85 -72.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -48.73 -21.3 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.653 ' O ' HG22 ' A' ' 115' ' ' ILE . 2.4 m-80 -80.13 -40.63 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.52 ' CE1' HG13 ' A' ' 42' ' ' ILE . 3.1 m-85 -58.02 -50.28 73.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -53.6 -46.04 70.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -64.04 -70.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.653 HG22 ' O ' ' A' ' 111' ' ' ASN . 9.1 tp -50.04 -32.45 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 3.4 tp-100 -60.66 -57.12 14.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 31.8 t90 -68.09 -43.04 79.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -48.11 -24.85 1.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -67.92 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.494 ' HG3' HG11 ' A' ' 12' ' ' VAL . 18.5 pttt -61.02 -22.6 64.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.651 ' HA ' HG21 ' A' ' 12' ' ' VAL . 23.0 t80 -73.74 -19.45 60.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.478 ' O ' ' CB ' ' A' ' 126' ' ' TYR . 0.3 OUTLIER -85.29 -32.92 22.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -79.3 -34.12 42.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.05 -21.64 66.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -109.63 -48.19 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.478 ' CB ' ' O ' ' A' ' 122' ' ' PHE . 54.0 t80 -49.55 111.42 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.09 -67.93 0.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.443 ' HA2' ' CE1' ' A' ' 126' ' ' TYR . . . 162.42 46.75 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.22 142.76 38.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.15 115.58 13.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.525 ' CD2' ' HA ' ' A' ' 57' ' ' MET . 32.7 t80 -118.97 127.79 53.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.626 ' CB ' HD12 ' A' ' 135' ' ' LEU . 2.8 m120 -97.59 113.78 63.97 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.625 0.726 . . . . 0.0 110.936 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.52 ' O ' ' HB3' ' A' ' 136' ' ' ALA . 53.8 Cg_endo -69.73 -50.33 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.728 2.285 . . . . 0.0 112.329 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.779 HD23 ' CE1' ' A' ' 36' ' ' HIS . 8.9 mt -54.59 -60.83 2.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.626 HD12 ' CB ' ' A' ' 132' ' ' ASN . 69.4 mt -41.59 -23.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 133' ' ' PRO . . . -51.31 -43.43 61.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.9 38.29 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -79.99 157.84 26.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -161.31 -32.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.4 ' CD ' ' H ' ' A' ' 140' ' ' GLN . 0.0 OUTLIER -110.46 179.76 3.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -121.65 -39.65 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 143' ' ' ALA . 95.6 t -38.63 -43.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 142' ' ' VAL . . . -34.94 135.96 0.41 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.602 0.715 . . . . 0.0 111.072 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 110.33 2.54 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.636 2.224 . . . . 0.0 112.345 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 150.72 68.68 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 2.254 . . . . 0.0 112.35 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 131.85 22.16 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.397 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -113.7 141.96 26.92 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.656 0.741 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' A' ' 150' ' ' ASP . 53.3 Cg_endo -69.78 4.88 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 148' ' ' PRO . . . -31.34 94.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.45 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 148' ' ' PRO . 10.1 m-20 -166.99 123.86 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.312 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -123.81 134.57 53.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 17.7 mm -136.57 131.16 47.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -125.71 165.19 19.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.3 t -130.79 -54.2 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 85.61 -178.8 50.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.445 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 178.15 4.9 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.683 2.256 . . . . 0.0 112.359 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 16.9 m -158.93 133.8 8.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 28.6 p -115.5 153.75 30.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.835 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.521 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.411 -0.276 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -74.67 -49.6 20.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.879 0.371 . . . . 0.0 110.809 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -98.82 164.0 12.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.44 106.13 0.4 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.484 ' HB3' ' CG ' ' A' ' 8' ' ' MET . 1.4 t -109.69 -174.49 2.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.919 0.39 . . . . 0.0 110.832 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 7' ' ' GLY . 9.5 t -95.32 145.56 25.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.839 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.92 77.7 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.513 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.484 ' CG ' ' HB3' ' A' ' 5' ' ' SER . 16.7 mmt -119.25 160.86 21.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.924 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . -90.52 115.12 27.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' ASN . 68.7 t -81.24 93.01 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.568 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 10.6 m120 -33.84 112.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.75 HG11 ' HD2' ' A' ' 120' ' ' LYS . 61.8 t -65.38 98.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 11' ' ' ASN . 6.2 m-85 -124.78 128.45 48.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.5 p -142.21 155.71 45.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.535 HG23 ' H ' ' A' ' 16' ' ' SER . 1.6 t -133.31 -54.34 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.535 ' H ' HG23 ' A' ' 15' ' ' THR . 58.3 m -122.47 34.66 5.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.4 m -141.16 147.6 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.5 t -170.64 142.02 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 20' ' ' GLU . 45.3 p -108.58 154.44 21.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 19' ' ' SER . 29.1 mt-10 -35.08 110.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.604 ' ND2' ' H ' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -74.47 123.39 24.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.744 HD22 ' HB3' ' A' ' 26' ' ' ASP . 14.8 mt -77.56 170.91 15.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m -126.11 -76.18 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.0 ptt85 -135.02 -52.71 0.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -60.6 -57.05 14.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.744 ' HB3' HD22 ' A' ' 22' ' ' LEU . 3.0 m-20 -57.52 -40.69 79.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.684 ' HE3' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -58.42 -47.39 84.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.477 ' HG ' HD13 ' A' ' 42' ' ' ILE . 52.6 mt -73.28 -36.14 66.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.75 92.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.086 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.567 ' CD1' ' HE3' ' A' ' 119' ' ' LYS . 21.7 t90 -59.55 -42.22 91.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.48 HG12 ' HB2' ' A' ' 37' ' ' LEU . 91.3 t -79.0 -39.89 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.123 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -62.96 -23.06 67.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -103.49 -32.73 9.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 m -56.43 -68.15 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.57 HD22 ' HG2' ' A' ' 53' ' ' GLN . 3.4 mt -108.26 21.97 16.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 61.77 54.96 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.49 HD12 ' CE2' ' A' ' 39' ' ' TYR . 3.4 mm? -91.23 160.41 15.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -124.55 36.3 4.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.49 ' CE2' HD12 ' A' ' 37' ' ' LEU . 26.0 m-85 -77.57 119.0 20.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.2 t -96.69 -4.1 41.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -140.88 128.17 21.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.578 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 15.5 mm -50.81 -31.23 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.402 ' O ' ' SG ' ' A' ' 46' ' ' CYS . 2.1 pp20? -63.25 -36.51 83.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -48.68 -48.65 39.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.58 HD13 HD13 ' A' ' 115' ' ' ILE . 13.9 mt -41.09 -32.68 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.487 ' O ' ' C ' ' A' ' 47' ' ' SER . 31.3 p -35.37 -43.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.504 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 10.0 t -30.83 -52.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.19 -40.09 2.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.472 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.32 -39.97 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 0.0 111.073 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.37 -64.76 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -46.08 -39.66 9.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.8 m -61.93 -61.84 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.57 ' HG2' HD22 ' A' ' 35' ' ' LEU . 30.1 tt0 -45.03 -33.01 1.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -65.27 -42.25 93.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 48.0 mmm -54.22 -38.72 66.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -65.34 -46.18 81.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.424 ' HG3' ' CB ' ' A' ' 131' ' ' TYR . 2.0 ttm -60.14 -57.71 11.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.606 HD22 ' HB2' ' A' ' 125' ' ' ASN . 62.1 mt -63.49 -55.32 24.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.514 ' CG ' ' HE3' ' A' ' 92' ' ' MET . 0.7 OUTLIER -119.63 96.99 49.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.673 0.749 . . . . 0.0 110.883 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.6 Cg_endo -69.76 140.47 42.77 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.713 2.276 . . . . 0.0 112.325 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.52 27.46 71.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.2 m -116.08 -36.14 4.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.815 0.34 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.6 p -115.96 150.7 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -105.05 96.75 6.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 68' ' ' VAL . 5.1 mp -65.23 -40.34 93.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -43.35 -43.3 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.446 ' O ' ' NE2' ' A' ' 80' ' ' HIS . 12.5 mttp -77.96 -22.86 48.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 65' ' ' LEU . 64.5 t -68.33 135.92 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.444 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 28.7 mttm -99.44 106.81 18.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -77.72 -37.85 48.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -92.71 42.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.17 119.58 12.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -116.85 -39.6 3.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.3 mt -82.71 162.19 21.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.477 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 52.1 tt0 -58.3 -62.42 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.437 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.1 p80 -44.01 -41.36 5.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.437 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 23.6 mt-10 -56.46 -36.27 68.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.477 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.9 m-85 -61.7 -40.64 95.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.686 HG13 HG11 ' A' ' 104' ' ' VAL . 5.2 mp -73.66 -40.75 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.446 ' NE2' ' O ' ' A' ' 67' ' ' LYS . 43.6 t60 -43.26 -67.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 47' ' ' SER . 17.7 p30 -47.3 -39.38 14.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.575 ' CD2' HG13 ' A' ' 100' ' ' VAL . 6.8 m-85 -64.9 -38.67 91.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.5 mttp -50.64 -70.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.7 p -50.55 -38.2 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.9 tp -62.28 -43.48 98.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.438 ' HA ' HD12 ' A' ' 98' ' ' ILE . 7.8 mm-40 -51.17 -38.64 53.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.28 -47.04 86.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.26 -38.57 63.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -69.71 -45.81 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -85.26 2.88 42.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.54 -36.65 14.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.924 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 8.7 ptp -95.29 -41.13 9.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.77 39.25 0.4 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.478 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.531 HG12 ' H ' ' A' ' 96' ' ' LYS . 97.7 t -76.78 126.41 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 111.193 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -88.4 38.78 0.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.531 ' H ' HG12 ' A' ' 94' ' ' VAL . 27.1 tptt -132.28 115.15 15.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 82.7 mt -77.44 146.48 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.15 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' A' ' 86' ' ' GLN . 60.7 mt -103.37 97.29 9.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.598 0.713 . . . . 0.0 111.149 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 81.57 0.81 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.645 2.23 . . . . 0.0 112.318 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.575 HG13 ' CD2' ' A' ' 82' ' ' PHE . 59.3 t -70.06 -62.79 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 100' ' ' VAL . 3.9 mt-10 -34.47 -32.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 100' ' ' VAL . 15.5 mttm -94.01 -52.94 4.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 15.2 mt -48.17 -50.46 28.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.686 HG11 HG13 ' A' ' 79' ' ' ILE . 28.4 m -48.35 -29.13 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 51.3 mmtt -63.72 -34.03 76.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.22 30.87 18.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.18 107.97 2.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.808 0.337 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.69 ' CE2' ' CZ ' ' A' ' 112' ' ' PHE . 2.7 t80 -45.59 -29.6 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.27 -74.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.944 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -47.74 -24.82 1.04 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.402 ' O ' HG22 ' A' ' 115' ' ' ILE . 2.1 m-80 -76.43 -46.26 27.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.69 ' CZ ' ' CE2' ' A' ' 108' ' ' PHE . 2.0 m-85 -49.62 -50.08 44.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.56 -54.6 45.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -46.96 -70.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.58 HD13 HD13 ' A' ' 45' ' ' LEU . 5.1 tp -55.43 -43.34 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.483 ' N ' HG23 ' A' ' 115' ' ' ILE . 2.9 tp60 -46.14 -41.95 13.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -83.95 -27.44 28.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.54 -20.98 66.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.567 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 7.3 tptm -72.55 -64.87 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.75 ' HD2' HG11 ' A' ' 12' ' ' VAL . 9.3 pttm -57.97 -37.22 73.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -63.19 -32.37 73.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -67.52 -32.63 73.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -77.23 -36.94 54.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.82 -35.08 68.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.606 ' HB2' HD22 ' A' ' 58' ' ' LEU . 1.6 m120 -95.63 -49.16 5.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -52.66 123.71 11.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -104.4 -49.19 3.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 157.9 53.22 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -125.01 117.66 24.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.352 . . . . 0.0 110.83 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -56.42 151.48 13.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.424 ' CB ' ' HG3' ' A' ' 57' ' ' MET . 88.5 t80 -135.58 146.75 48.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.402 ' HA ' ' HD2' ' A' ' 133' ' ' PRO . 5.5 m120 -107.54 93.06 9.37 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.412 ' O ' ' HB3' ' A' ' 136' ' ' ALA . 53.2 Cg_endo -69.79 -48.53 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 11.4 mt -52.61 -51.88 57.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.586 HD23 ' H ' ' A' ' 135' ' ' LEU . 0.2 OUTLIER -45.14 -39.21 5.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 133' ' ' PRO . . . -48.72 -46.07 40.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.41 41.26 2.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -98.92 139.13 35.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -118.81 -108.43 2.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.53 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.62 ' H ' ' NE2' ' A' ' 140' ' ' GLN . 0.4 OUTLIER -91.38 158.65 16.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.81 0.338 . . . . 0.0 110.909 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -81.74 -48.91 11.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 143' ' ' ALA . 96.0 t -43.62 -47.41 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 142' ' ' VAL . . . -34.55 141.29 0.26 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.589 0.709 . . . . 0.0 111.14 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 143.72 51.63 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.685 2.257 . . . . 0.0 112.329 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.52 30.75 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.331 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 110.06 2.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.657 2.238 . . . . 0.0 112.328 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -158.59 142.39 11.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.626 0.727 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -49.68 0.54 Allowed 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.341 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 43.83 80.81 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -115.0 158.28 22.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.725 0.297 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.488 ' C ' ' CD ' ' A' ' 151' ' ' GLN . 0.0 OUTLIER -102.48 40.52 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.874 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.6 ' O ' ' CD2' ' A' ' 153' ' ' PHE . 6.7 tt -74.4 123.08 29.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 152' ' ' ILE . 8.6 m-85 -174.18 156.11 2.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 74.8 p -97.81 -57.06 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -165.52 121.0 0.97 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -33.02 17.43 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.674 2.249 . . . . 0.0 112.332 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 54.1 p 42.75 42.04 2.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 8.9 t -158.3 172.86 17.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.945 . . . . . . . . 0 0 . 1 . 013 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 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 m -99.13 96.73 7.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.832 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.5 p -136.15 170.37 16.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.74 -177.69 19.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -129.82 174.5 9.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.363 . . . . 0.0 110.869 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.2 t -79.37 -52.96 7.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.41 106.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.3 mmt -113.15 162.92 15.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.28 160.76 14.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.9 t -118.26 101.34 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -56.22 132.54 50.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 t -105.1 90.57 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.444 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 1.7 p90 -130.75 24.99 5.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.1 m -65.36 174.39 2.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.5 t -126.23 -37.54 2.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.1 p -113.46 85.28 2.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.5 m -146.79 -175.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.7 52.92 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.478 ' O ' ' C ' ' A' ' 20' ' ' GLU . 1.5 m -96.06 18.39 13.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 19' ' ' SER . 16.4 mt-10 -32.13 101.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -34.45 143.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.546 HD11 ' NZ ' ' A' ' 119' ' ' LYS . 35.7 mt -97.65 -175.09 3.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 24' ' ' ARG . 3.0 m -122.51 163.45 19.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 23' ' ' SER . 13.7 mtm180 -34.17 -58.13 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -49.27 -70.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 29' ' ' ALA . 11.8 m-20 -45.86 -60.37 2.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.638 ' SD ' HG23 ' A' ' 115' ' ' ILE . 4.5 mmt -39.13 -42.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.583 HD11 ' HA ' ' A' ' 41' ' ' LYS . 71.2 mt -82.26 -28.58 31.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -67.02 -50.54 61.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.478 ' CD2' ' HG2' ' A' ' 119' ' ' LYS . 27.9 t90 -50.45 -40.61 51.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.55 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 21.4 t -78.1 -44.85 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -60.38 -13.67 14.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -113.7 -22.14 10.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 m -67.03 -68.41 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.484 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -107.25 21.96 16.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 62.93 54.68 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.484 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 3.9 mm? -90.9 163.67 14.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -130.34 35.68 4.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.454 ' CE2' HD12 ' A' ' 37' ' ' LEU . 27.3 m-85 -71.21 126.96 31.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.504 ' H ' ' NE2' ' A' ' 44' ' ' GLN . 2.7 m -95.26 -4.92 44.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.583 ' HA ' HD11 ' A' ' 28' ' ' LEU . 77.9 mttt -155.59 143.62 19.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.568 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 12.3 mm -54.69 -39.51 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -52.7 -29.92 29.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.504 ' NE2' ' H ' ' A' ' 40' ' ' THR . 26.9 mt-30 -60.51 -33.83 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.611 HD13 HD13 ' A' ' 115' ' ' ILE . 30.8 mt -59.05 -28.65 66.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 47' ' ' SER . 1.7 p -40.78 -41.26 1.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 46' ' ' CYS . 88.1 p -34.43 -41.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 95.8 -41.83 2.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.52 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -35.19 -56.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.07 -64.07 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -43.58 -33.5 1.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.0 m -70.54 -53.56 15.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.473 ' HA ' HD11 ' A' ' 65' ' ' LEU . 61.9 tt0 -56.5 -25.96 52.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.55 ' CZ ' HG13 ' A' ' 31' ' ' VAL . 22.1 m-85 -69.46 -45.83 68.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 78.2 mmm -55.45 -33.09 63.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -66.95 -43.75 82.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.5 ttm -63.59 -61.69 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.99 -65.06 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -115.38 95.83 44.0 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.66 0.743 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 148.17 64.43 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.359 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.05 4.63 78.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.462 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 32.9 m -99.09 -32.2 11.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.9 p -121.38 150.74 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.416 ' O ' HG23 ' A' ' 68' ' ' VAL . 5.0 t-160 -109.5 111.65 23.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' ' 53' ' ' GLN . 0.7 OUTLIER -76.54 -25.29 53.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -57.87 -38.02 74.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.21 -11.89 57.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 64' ' ' HIS . 57.8 t -79.08 126.48 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -94.6 93.48 7.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.905 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -68.36 -14.14 62.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -106.4 21.26 17.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 77' ' ' GLU . . . -58.84 116.27 3.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -114.48 -29.93 6.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.7 mt -83.3 167.47 17.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -68.71 -53.87 19.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -55.95 -23.9 34.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.587 ' HB3' ' HB1' ' A' ' 72' ' ' ALA . 11.7 mt-10 -70.95 -22.05 62.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.0 m-30 -75.22 -39.2 60.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.549 ' H ' HD12 ' A' ' 79' ' ' ILE . 4.4 mp -68.13 -43.22 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.154 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -50.53 -56.78 10.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -53.05 -32.14 45.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.617 ' CD2' HG13 ' A' ' 100' ' ' VAL . 17.2 m-85 -75.03 -38.67 61.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -49.24 -57.79 6.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.9 p -60.84 -34.01 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.8 -47.02 82.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.47 ' HA ' HD12 ' A' ' 98' ' ' ILE . 10.5 mm-40 -51.83 -36.3 47.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.08 96.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.076 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.53 -22.9 62.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -78.15 -53.1 7.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -65.54 -36.27 83.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -43.87 -50.25 8.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.412 ' HB2' ' HE2' ' A' ' 92' ' ' MET . 3.0 ptm -87.65 -46.85 9.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.19 39.82 0.33 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.506 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.671 HG12 ' H ' ' A' ' 96' ' ' LYS . 79.6 t -69.2 122.33 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 111.123 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -87.46 31.82 0.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.671 ' H ' HG12 ' A' ' 94' ' ' VAL . 13.7 tptm -121.99 105.34 10.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 42.3 mm -63.83 144.91 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.187 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 86' ' ' GLN . 59.7 mt -104.0 98.73 14.27 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 111.074 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 82.22 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.388 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.617 HG13 ' CD2' ' A' ' 82' ' ' PHE . 57.9 t -70.99 -63.37 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -41.56 -23.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 100' ' ' VAL . 14.2 mttt -98.43 -43.22 6.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.4 -48.67 80.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.538 HG11 HG13 ' A' ' 79' ' ' ILE . 10.9 m -55.24 -18.74 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -11.5 60.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 63.58 19.96 63.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.468 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -63.64 103.69 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.568 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 2.0 t80 -40.98 -29.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -78.15 -72.23 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -45.88 -21.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -81.1 -48.98 11.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.485 ' CE1' HG13 ' A' ' 42' ' ' ILE . 5.1 m-85 -46.95 -47.27 21.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -53.56 -48.39 69.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -63.49 -69.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.638 HG23 ' SD ' ' A' ' 27' ' ' MET . 9.0 tp -49.04 -30.37 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.407 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 8.1 tp60 -63.32 -62.93 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.496 ' HA ' ' CD ' ' A' ' 120' ' ' LYS . 3.4 t90 -69.07 -16.07 63.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -69.75 -30.21 67.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.546 ' NZ ' HD11 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -74.36 -51.2 15.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.496 ' CD ' ' HA ' ' A' ' 117' ' ' TRP . 3.8 ptmt -61.94 -35.83 79.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -73.99 -23.14 59.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -71.3 -40.01 71.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -81.99 -30.01 31.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.37 -13.6 14.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -125.63 -45.07 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.489 ' CE1' ' HG2' ' A' ' 129' ' ' LYS . 85.1 t80 -52.65 109.57 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -100.86 39.85 1.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.488 ' HA2' ' CE2' ' A' ' 126' ' ' TYR . . . 65.71 61.42 5.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.489 ' HG2' ' CE1' ' A' ' 126' ' ' TYR . 0.1 OUTLIER -114.42 106.15 13.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 110.894 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -47.34 142.43 4.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -154.26 130.74 10.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.432 ' CG ' ' HG ' ' A' ' 135' ' ' LEU . 0.1 OUTLIER -105.87 110.92 64.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.628 0.728 . . . . 0.0 110.87 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -36.76 10.24 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.652 2.234 . . . . 0.0 112.312 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 21.4 mt -60.86 -51.28 69.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.439 ' HA ' ' CG ' ' A' ' 138' ' ' GLN . 57.8 mt -51.42 -35.15 37.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -56.22 -24.83 44.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.3 28.61 4.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.439 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 43.9 mm-40 -86.03 137.83 32.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 139.99 43.1 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.446 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.579 ' NE2' ' HB2' ' A' ' 143' ' ' ALA . 0.1 OUTLIER -150.82 163.84 37.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 0.0 110.924 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 142' ' ' VAL . 17.8 t0 -68.59 -45.74 71.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 141' ' ' ASP . 61.7 t -36.69 -36.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.579 ' HB2' ' NE2' ' A' ' 140' ' ' GLN . . . -46.23 158.37 0.38 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.526 0.679 . . . . 0.0 111.113 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . 0.515 ' HD2' ' HB1' ' A' ' 143' ' ' ALA . 53.7 Cg_endo -69.81 159.0 54.97 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.671 2.247 . . . . 0.0 112.322 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 156.64 62.93 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.35 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 4.85 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.359 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -39.36 144.27 0.47 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.716 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -45.11 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.645 2.23 . . . . 0.0 112.322 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -177.9 -116.53 0.49 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.66 79.59 9.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.311 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -122.46 160.89 24.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.448 HG22 ' H ' ' A' ' 155' ' ' GLY . 44.9 mt -48.18 117.67 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 154' ' ' SER . 75.0 t80 -57.5 -73.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 153' ' ' PHE . 32.3 t -36.98 -55.45 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.448 ' H ' HG22 ' A' ' 152' ' ' ILE . . . 135.88 -98.93 0.3 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -42.89 3.0 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.623 2.215 . . . . 0.0 112.349 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 25.4 p -40.08 128.38 2.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.7 m -97.21 116.46 29.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -78.84 -51.98 8.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.812 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t -88.07 106.36 18.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.03 69.13 0.36 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.4 p -66.84 -33.46 75.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.838 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.5 m -105.19 172.9 6.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.824 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.25 -47.2 1.07 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.438 ' C ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -105.21 -179.97 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.866 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.785 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . -83.54 134.8 34.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.401 HG23 HD22 ' A' ' 125' ' ' ASN . 93.3 t -87.79 89.56 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -41.21 111.75 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.565 HG21 ' HA ' ' A' ' 121' ' ' PHE . 11.6 t -91.65 101.08 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.136 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -108.72 35.55 3.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.5 m -118.56 45.67 1.99 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.4 p -102.62 159.89 15.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.7 p 48.76 36.48 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.67 -28.34 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.2 t -110.6 162.87 14.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.26 -4.81 59.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.401 ' O ' ' OD1' ' A' ' 21' ' ' ASN . 1.1 tt0 -65.36 118.55 9.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 20' ' ' GLU . 1.4 m-20 -144.86 124.81 13.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.4 mt -95.53 163.31 13.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 t -122.95 -176.37 3.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -47.66 -45.79 28.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -58.5 -69.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 29' ' ' ALA . 11.4 m-20 -52.1 -61.44 2.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.554 ' SD ' HG23 ' A' ' 115' ' ' ILE . 4.5 mmt -37.16 -43.36 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.431 ' O ' ' ND2' ' A' ' 32' ' ' ASN . 31.4 mt -78.95 -38.66 36.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -58.32 -42.81 87.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.565 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 4.5 t90 -57.99 -55.37 35.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.406 ' CG2' HD11 ' A' ' 115' ' ' ILE . 62.9 t -66.4 -34.85 72.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 28' ' ' LEU . 2.0 m-80 -62.72 -20.93 65.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -104.95 -31.45 9.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.4 m -54.87 -66.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.551 HD11 ' CD2' ' A' ' 54' ' ' PHE . 0.8 OUTLIER -111.49 18.47 19.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 64.1 52.28 2.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.0 mm? -83.36 166.42 18.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -135.02 38.9 2.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.428 ' HB2' HD22 ' A' ' 28' ' ' LEU . 22.7 m-85 -80.45 124.58 29.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.1 p -90.86 -12.08 37.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -140.5 144.26 35.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.564 HG13 ' CE1' ' A' ' 112' ' ' PHE . 6.4 mm -61.21 -33.06 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -59.48 -33.0 70.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -53.19 -46.09 68.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.9 mt -43.8 -28.51 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 47' ' ' SER . 17.3 p -42.57 -37.66 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.45 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 2.5 p -34.37 -40.61 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 96.28 -46.99 1.8 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.26 -57.23 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.819 0.343 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.8 -64.57 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -43.01 -38.36 2.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.0 m -66.18 -56.81 9.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -48.23 -25.36 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.551 ' CD2' HD11 ' A' ' 35' ' ' LEU . 10.4 m-85 -72.3 -46.89 53.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 59.4 mmm -51.47 -39.7 58.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -60.09 -52.02 67.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.47 ' HG3' ' CB ' ' A' ' 131' ' ' TYR . 5.2 ttm -58.37 -56.04 27.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.58 -64.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 4.0 m-85 -114.84 99.91 52.68 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.699 0.761 . . . . 0.0 110.866 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.0 Cg_endo -69.8 143.21 49.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.31 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.08 18.89 78.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.452 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.8 m -108.45 -35.63 6.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.357 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.1 p -116.3 155.77 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.415 ' O ' HG23 ' A' ' 68' ' ' VAL . 2.3 t-160 -114.78 96.84 5.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.2 mp -65.12 -30.08 70.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.26 -43.26 67.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.432 ' O ' ' NE2' ' A' ' 80' ' ' HIS . 15.2 mttt -80.46 -19.89 45.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 64' ' ' HIS . 54.6 t -68.94 131.34 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -98.02 102.4 14.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -75.39 -37.18 60.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -87.58 36.24 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.01 130.6 43.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.063 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -129.2 -35.77 1.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 49.9 mt -78.13 171.06 15.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.563 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 14.5 tt0 -71.85 -60.6 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -48.58 -33.42 9.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -64.84 -33.23 75.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.563 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 23.2 m-85 -62.25 -28.13 69.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.551 HG13 HG11 ' A' ' 104' ' ' VAL . 3.9 mp -81.09 -38.83 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.152 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.432 ' NE2' ' O ' ' A' ' 67' ' ' LYS . 38.6 t60 -46.22 -65.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 47' ' ' SER . 7.9 p30 -50.84 -28.75 10.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.655 ' CD2' HG13 ' A' ' 100' ' ' VAL . 2.8 m-85 -78.34 -33.82 48.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -57.29 -66.47 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.4 p -55.16 -32.0 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.7 tp -64.49 -49.25 72.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -48.11 -41.38 26.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.99 -41.9 71.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.57 -34.93 71.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.477 ' CD2' HG11 ' A' ' 94' ' ' VAL . 3.3 m-85 -64.97 -55.46 18.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' MET . 0.4 OUTLIER -64.56 -41.09 96.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 90' ' ' LYS . 28.5 mttp -34.11 -35.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.785 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 8.7 ptp -111.31 -38.88 4.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 121.46 35.56 0.79 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.445 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.725 HG12 ' H ' ' A' ' 96' ' ' LYS . 40.6 t -54.05 122.58 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 111.11 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -83.48 36.65 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.725 ' H ' HG12 ' A' ' 94' ' ' VAL . 14.8 tptt -135.2 117.39 15.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 37.7 mm -77.41 143.76 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.45 HD11 ' CE1' ' A' ' 89' ' ' PHE . 38.4 mt -103.26 97.29 9.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 111.187 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 79.31 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.69 ' O ' HG22 ' A' ' 104' ' ' VAL . 66.1 t -66.63 -63.27 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 100' ' ' VAL . 5.2 mm-40 -36.06 -37.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -87.57 -43.07 12.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.7 mt -59.3 -56.12 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 100' ' ' VAL . 13.2 m -42.86 -48.05 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 104' ' ' VAL . 6.8 mmpt? -32.83 -40.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.86 29.62 12.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -72.76 172.08 11.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.482 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 1.4 t80 -100.69 -30.45 11.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -73.45 -71.06 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -49.45 -24.1 1.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -77.1 -45.39 27.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.564 ' CE1' HG13 ' A' ' 42' ' ' ILE . 3.4 m-85 -51.03 -60.8 2.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -44.35 -63.77 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -39.28 -70.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.554 HG23 ' SD ' ' A' ' 27' ' ' MET . 8.8 tp -52.68 -33.94 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.183 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.445 ' OE1' ' C ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -56.98 -60.9 2.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.563 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 3.6 t90 -68.18 -28.77 67.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -59.17 -26.46 64.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.565 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 22.6 tptp -65.3 -66.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -55.5 -48.22 74.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.565 ' HA ' HG21 ' A' ' 12' ' ' VAL . 28.9 t80 -56.42 -33.39 65.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.558 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 0.5 OUTLIER -72.22 -41.62 66.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -72.6 -34.9 67.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -54.48 -35.78 63.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.401 HD22 HG23 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -100.84 -48.16 4.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.508 ' CZ ' ' HA2' ' A' ' 128' ' ' GLY . 18.6 t80 -41.89 133.61 2.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -131.41 41.83 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.508 ' HA2' ' CZ ' ' A' ' 126' ' ' TYR . . . 45.07 67.8 1.1 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.495 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 130' ' ' ASP . 2.5 mtmp? -98.61 19.8 14.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 129' ' ' LYS . 2.0 t70 34.2 41.27 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.47 ' CB ' ' HG3' ' A' ' 57' ' ' MET . 78.1 t80 -51.38 151.94 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.643 ' CB ' HD12 ' A' ' 135' ' ' LEU . 3.6 m120 -114.73 99.44 51.79 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.639 0.733 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.483 ' O ' ' HB3' ' A' ' 136' ' ' ALA . 53.9 Cg_endo -69.77 -47.28 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.651 2.234 . . . . 0.0 112.358 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 44.6 mt -52.1 -52.72 49.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.643 HD12 ' CB ' ' A' ' 132' ' ' ASN . 76.3 mt -50.2 -40.08 46.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 133' ' ' PRO . . . -45.46 -38.02 5.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.07 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -119.68 42.69 2.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -105.8 84.23 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -146.18 -72.62 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.433 ' H ' ' NE2' ' A' ' 140' ' ' GLN . 0.0 OUTLIER -81.44 174.9 11.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 -179.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 142' ' ' VAL . 8.9 t70 -120.3 -40.09 2.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 141' ' ' ASP . 85.9 t -36.16 -44.33 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -36.14 137.97 0.47 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.537 0.684 . . . . 0.0 111.098 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 126.9 13.85 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.701 2.268 . . . . 0.0 112.336 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 147.27 62.67 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.333 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 139.5 40.45 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.652 2.235 . . . . 0.0 112.349 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -92.52 143.84 27.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.667 0.746 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 149' ' ' GLY . 54.1 Cg_endo -69.79 -45.62 1.51 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.631 2.221 . . . . 0.0 112.348 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 148' ' ' PRO . . . 36.04 63.77 0.61 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.494 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -110.03 88.92 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -70.91 98.6 1.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 74.1 mt -87.64 100.67 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -153.78 128.87 9.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.3 m -161.86 144.58 11.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 174.31 -178.42 46.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.515 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 155.93 64.57 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.342 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 29.4 t -133.57 42.22 3.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 27.7 p -143.68 159.11 43.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.494 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -146.72 140.25 25.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.2 m -57.38 98.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.7 97.63 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 p -118.89 39.08 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 110.849 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -161.24 130.75 4.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.89 -43.73 1.63 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.485 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.3 mmt -115.45 162.53 17.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.717 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . -83.14 166.75 18.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 11' ' ' ASN . 67.0 t -132.6 87.35 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 10' ' ' VAL . 1.8 m-80 -34.07 142.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.781 HG11 ' HG3' ' A' ' 120' ' ' LYS . 2.2 t -123.22 68.23 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.21 -1.49 56.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 m -78.17 142.56 37.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.2 t -71.8 137.71 47.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 17' ' ' VAL . 19.7 m -89.2 113.83 25.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.5 HG23 ' N ' ' A' ' 18' ' ' THR . 11.5 m -34.4 -50.83 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.5 ' N ' HG23 ' A' ' 17' ' ' VAL . 42.6 p -55.86 112.83 1.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.67 -2.01 48.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -111.85 114.53 27.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -74.5 169.21 18.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.8 mt -78.28 170.24 16.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 24' ' ' ARG . 8.1 t -120.27 157.55 28.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 23' ' ' SER . 16.1 ttt180 -33.97 -49.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -50.35 -70.42 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -52.87 -52.61 56.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.2 mmt -46.72 -42.33 16.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.3 mt -81.01 -31.01 34.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.93 -33.42 74.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.542 ' CD1' ' HE3' ' A' ' 119' ' ' LYS . 14.4 t90 -64.18 -42.02 96.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.3 t -81.69 -41.84 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.17 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -60.86 -17.49 50.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.97 -43.81 4.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 m -53.5 -67.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.604 HD22 ' HG2' ' A' ' 53' ' ' GLN . 11.2 mt -98.74 15.07 26.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 58.01 54.03 6.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.541 HD23 ' HB2' ' A' ' 35' ' ' LEU . 2.3 mm? -87.29 170.83 11.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -132.91 37.79 3.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -78.53 122.65 26.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.536 HG23 ' HG3' ' A' ' 41' ' ' LYS . 12.2 t -93.23 -9.18 40.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.536 ' HG3' HG23 ' A' ' 40' ' ' THR . 9.0 mtmp? -147.04 137.55 23.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.523 ' HB ' ' CE1' ' A' ' 108' ' ' PHE . 3.3 mm -54.17 -46.01 67.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.135 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -44.66 -32.31 1.44 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' CYS . 25.5 mt-30 -57.99 -46.35 85.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.1 mt -40.04 -27.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 47' ' ' SER . 31.7 p -43.1 -39.06 2.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 46' ' ' CYS . 3.2 t -33.85 -44.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 100.41 -50.17 1.08 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -33.75 -56.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.71 -60.69 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -50.3 -37.96 39.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 11.2 m -67.64 -51.41 50.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.604 ' HG2' HD22 ' A' ' 35' ' ' LEU . 30.1 tt0 -54.22 -25.65 24.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.475 ' CG ' HD11 ' A' ' 35' ' ' LEU . 8.8 m-85 -73.29 -45.16 57.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 46.3 mmm -47.66 -42.85 25.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -65.73 -39.11 90.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.838 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.481 ' SD ' ' CB ' ' A' ' 131' ' ' TYR . 6.8 tpp -56.37 -58.73 6.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.563 HD11 ' HA ' ' A' ' 122' ' ' PHE . 74.5 mt -73.72 -62.44 1.49 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.412 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 2.0 m-85 -103.07 96.01 7.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.656 0.741 . . . . 0.0 110.919 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.5 Cg_endo -69.77 142.87 49.06 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.245 . . . . 0.0 112.324 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.28 19.64 72.52 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 23.6 m -104.07 -35.99 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.2 p -116.37 152.88 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.518 ' CD2' ' HB2' ' A' ' 66' ' ' ARG . 2.9 t-160 -106.77 99.46 9.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 mp -66.04 -36.87 84.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.518 ' HB2' ' CD2' ' A' ' 64' ' ' HIS . 11.4 mmm180 -47.72 -42.79 26.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.856 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -76.89 -23.04 52.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 49' ' ' ALA . 71.8 t -70.56 130.85 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.415 ' HE2' ' CD2' ' A' ' 80' ' ' HIS . 32.2 mttm -99.57 105.27 17.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -74.2 -43.78 55.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -82.8 40.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.96 121.31 20.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -117.35 -37.79 3.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.5 mt -79.74 166.48 21.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.949 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.452 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 41.7 tt0 -65.53 -62.75 1.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.4 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.2 p80 -43.73 -39.25 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.4 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 26.4 mt-10 -56.32 -38.23 71.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.452 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.7 m-85 -64.14 -40.5 96.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.539 HG13 HG11 ' A' ' 104' ' ' VAL . 3.7 mp -65.07 -49.1 81.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.415 ' CD2' ' HE2' ' A' ' 69' ' ' LYS . 55.9 t60 -48.48 -60.17 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -46.97 -33.77 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.546 ' CD2' HG13 ' A' ' 100' ' ' VAL . 13.3 m-85 -75.49 -42.04 53.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.7 mttp -44.53 -62.07 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.6 p -55.51 -39.11 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.1 tp -60.25 -47.8 84.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -51.24 -36.27 41.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.26 89.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.85 -34.23 76.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.475 ' CG ' HD11 ' A' ' 98' ' ' ILE . 3.5 m-85 -62.92 -44.61 95.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 91' ' ' LYS . 50.7 mmtt -74.04 -38.86 63.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 90' ' ' LYS . 12.1 mtpp -34.7 -40.44 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.717 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 16.6 ptp -102.18 -43.81 5.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.96 29.26 0.88 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.631 HG12 ' H ' ' A' ' 96' ' ' LYS . 83.6 t -54.4 120.58 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.126 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -86.99 36.7 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.631 ' H ' HG12 ' A' ' 94' ' ' VAL . 16.3 tptt -124.93 98.27 5.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.401 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 34.3 mm -59.57 138.72 20.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.475 HD11 ' CG ' ' A' ' 89' ' ' PHE . 60.0 mt -100.19 99.85 10.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.646 0.736 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 97' ' ' ILE . 53.4 Cg_endo -69.82 82.64 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.737 ' O ' HG22 ' A' ' 104' ' ' VAL . 66.7 t -72.57 -53.53 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -46.09 -24.63 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -99.62 -53.72 3.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 23.2 mt -49.42 -54.91 15.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.737 HG22 ' O ' ' A' ' 100' ' ' VAL . 33.1 m -45.36 -41.45 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.439 ' N ' HG23 ' A' ' 104' ' ' VAL . 5.4 mmmm -51.36 -35.38 38.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.03 36.1 6.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -73.91 107.46 6.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.646 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 5.1 t80 -47.36 -30.73 3.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -75.95 -71.19 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -48.84 -19.64 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -80.9 -50.29 9.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.646 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 1.9 m-85 -45.77 -47.86 15.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -56.2 -58.92 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -46.54 -70.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.504 HG23 ' N ' ' A' ' 116' ' ' GLN . 8.8 tp -51.71 -44.55 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.128 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.504 ' N ' HG23 ' A' ' 115' ' ' ILE . 18.3 tp60 -49.58 -49.04 48.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.506 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 8.1 t90 -73.59 -42.25 61.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -52.91 -18.45 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.542 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 10.2 tptm -66.95 -58.03 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.781 ' HG3' HG11 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -71.93 -32.14 67.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.566 ' HE1' ' HB1' ' A' ' 9' ' ' ALA . 43.1 t80 -65.23 -24.08 67.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.563 ' HA ' HD11 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -79.85 -44.77 19.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -70.0 -36.61 75.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -49.5 -37.36 26.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 126' ' ' TYR . 3.1 m-80 -101.02 -41.89 6.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.468 ' CZ ' ' HA2' ' A' ' 128' ' ' GLY . 69.9 t80 -35.19 128.87 0.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -123.28 36.33 4.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.468 ' HA2' ' CZ ' ' A' ' 126' ' ' TYR . . . 53.65 86.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.19 166.74 23.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.07 132.22 45.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.481 ' CB ' ' SD ' ' A' ' 57' ' ' MET . 62.5 t80 -139.56 147.33 41.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.68 102.92 38.1 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.623 0.725 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.423 ' HG3' ' C ' ' A' ' 35' ' ' LEU . 53.9 Cg_endo -69.71 -19.27 36.59 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.704 2.27 . . . . 0.0 112.369 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.2 mt -76.74 -54.16 7.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.416 ' HA ' ' CG ' ' A' ' 138' ' ' GLN . 65.7 mt -47.25 -39.33 14.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -47.66 -35.94 10.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.05 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -121.66 40.23 3.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.416 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 32.7 mm-40 -99.13 142.63 30.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 173.83 -87.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.51 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.681 ' H ' ' NE2' ' A' ' 140' ' ' GLN . 0.5 OUTLIER -94.18 142.22 27.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.903 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 142' ' ' VAL . 1.0 OUTLIER -78.03 -41.96 33.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 141' ' ' ASP . 84.3 t -36.67 -43.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -36.63 150.17 0.14 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.575 0.703 . . . . 0.0 111.105 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 116.1 4.4 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.734 2.29 . . . . 0.0 112.33 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 160.59 49.12 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.723 2.282 . . . . 0.0 112.324 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 141.9 46.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.665 2.243 . . . . 0.0 112.308 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . 0.421 ' C ' ' OD1' ' A' ' 147' ' ' ASN . 5.6 p30 -40.61 146.56 0.44 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.72 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -43.1 2.89 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.725 2.283 . . . . 0.0 112.319 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 162.85 62.75 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.53 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -48.37 112.7 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.758 0.313 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -82.32 156.37 24.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.956 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 20.2 tt -94.06 146.51 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.176 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -42.83 112.22 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.5 t -73.14 111.95 8.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 152.57 119.72 0.81 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 116.19 4.44 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 0.0 112.335 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 79.2 p -90.43 128.69 36.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.6 m 42.84 41.36 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.445 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 m -64.15 150.67 45.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.381 . . . . 0.0 110.821 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 m -103.19 -62.38 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.03 -156.41 10.58 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -53.54 178.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.842 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -56.04 131.47 47.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.37 140.07 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.46 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -131.79 170.97 14.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.783 0.325 . . . . 0.0 110.838 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.874 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . -82.84 156.23 23.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.108 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.493 HG23 HD22 ' A' ' 125' ' ' ASN . 22.0 t -139.74 123.17 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 1.6 m-80 -82.46 30.63 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.516 HG21 ' HB2' ' A' ' 120' ' ' LYS . 16.2 t 34.88 52.76 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 11' ' ' ASN . 11.7 m-85 -57.49 -44.09 84.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.9 p -45.73 160.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.8 t -119.36 128.42 54.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.7 m -97.77 130.79 44.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.451 HG13 ' N ' ' A' ' 18' ' ' THR . 14.5 p -101.9 -41.34 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.451 ' N ' HG13 ' A' ' 17' ' ' VAL . 22.5 p -44.63 -56.61 4.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.4 m -119.11 150.12 40.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 21' ' ' ASN . 14.5 pt-20 -105.45 -52.19 2.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.418 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -156.98 148.48 22.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 -179.895 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.455 HD11 ' NZ ' ' A' ' 119' ' ' LYS . 48.7 mt -93.52 170.0 9.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.944 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 24' ' ' ARG . 4.8 m -110.34 162.19 14.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 23' ' ' SER . 8.7 ptt-85 -34.63 -50.34 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -57.98 -72.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -41.8 -52.93 3.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.698 ' SD ' HG23 ' A' ' 115' ' ' ILE . 0.7 OUTLIER -45.41 -46.56 13.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.426 ' O ' ' ND2' ' A' ' 32' ' ' ASN . 85.9 mt -76.77 -33.15 58.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.19 -37.67 86.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.527 ' CD2' ' HG2' ' A' ' 119' ' ' LYS . 24.2 t90 -62.34 -49.88 73.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.1 t -71.66 -37.33 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.187 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 28' ' ' LEU . 1.6 m-80 -58.25 -21.33 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -104.92 -36.01 7.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.7 m -49.18 -67.19 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.468 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . 1.7 mt -110.49 19.14 19.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 62.66 50.83 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.4 mm? -79.99 168.35 19.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -132.99 32.48 3.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -72.04 138.7 48.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.442 ' C ' ' HG3' ' A' ' 41' ' ' LYS . 2.4 m -111.88 2.53 17.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.442 ' HG3' ' C ' ' A' ' 40' ' ' THR . 2.4 mtpp -153.88 147.92 25.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.51 HD11 ' HB2' ' A' ' 27' ' ' MET . 2.8 mm -69.15 -27.87 36.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.51 ' OE1' ' CE1' ' A' ' 108' ' ' PHE . 1.6 pm0 -65.87 -32.46 73.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.834 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 46' ' ' CYS . 24.6 mt-30 -57.11 -48.2 79.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.508 HD13 HD13 ' A' ' 115' ' ' ILE . 12.4 mt -40.88 -25.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' GLN . 23.5 p -42.45 -36.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 46' ' ' CYS . 24.1 p -34.92 -45.25 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 97.25 -45.63 1.76 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.434 ' HA ' ' CG1' ' A' ' 68' ' ' VAL . . . -37.18 -62.43 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.787 0.327 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.79 -58.68 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -46.49 -36.57 6.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.5 m -68.94 -49.12 60.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.43 HE22 ' CB ' ' A' ' 136' ' ' ALA . 56.3 tp60 -53.81 -23.14 11.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.464 ' CD2' HD11 ' A' ' 35' ' ' LEU . 12.6 m-85 -75.28 -47.57 27.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.8 mmm -51.85 -34.31 40.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -67.83 -42.54 81.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.0 ttm -59.62 -63.24 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.788 HD22 ' HB2' ' A' ' 125' ' ' ASN . 20.0 mt -59.75 -66.5 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.422 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 4.0 m-85 -104.88 100.53 24.42 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.655 0.74 . . . . 0.0 110.888 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.75 142.21 47.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.331 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.77 28.92 74.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 87.3 m -112.04 -38.74 4.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.497 HG13 HD13 ' A' ' 65' ' ' LEU . 5.9 p -113.35 147.33 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.564 ' CD2' ' HB2' ' A' ' 66' ' ' ARG . 3.1 t-160 -102.96 96.99 7.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.497 HD13 HG13 ' A' ' 63' ' ' VAL . 2.1 mp -66.44 -35.39 80.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.564 ' HB2' ' CD2' ' A' ' 64' ' ' HIS . 11.2 mpt_? -48.6 -43.12 35.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -76.77 -21.0 55.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.434 ' CG1' ' HA ' ' A' ' 49' ' ' ALA . 78.2 t -73.75 132.75 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -101.42 107.4 18.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -76.77 -41.31 45.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -84.15 38.01 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.46 132.67 43.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -127.51 -33.43 2.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 79.8 mt -80.61 160.28 25.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.569 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 17.8 tt0 -61.7 -62.92 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.44 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.8 p80 -41.73 -42.17 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.44 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 23.3 mt-10 -55.75 -39.37 71.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 18.8 m-85 -56.93 -39.28 74.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.956 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.606 HG13 HG11 ' A' ' 104' ' ' VAL . 4.1 mp -71.83 -50.41 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -42.96 -60.6 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -49.27 -36.8 21.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.55 ' CD2' HG13 ' A' ' 100' ' ' VAL . 7.2 m-85 -73.62 -34.99 65.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -51.66 -63.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.3 p -54.69 -35.31 32.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.85 -51.6 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -46.57 -30.54 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.72 -46.85 83.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.24 -17.11 62.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -85.5 -44.69 12.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -77.59 -31.51 53.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 92' ' ' MET . 1.1 ptmt -42.61 -40.5 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.874 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 5.0 ptp -101.18 -41.58 6.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.58 27.23 1.08 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.585 HG12 ' H ' ' A' ' 96' ' ' LYS . 47.7 t -54.78 119.63 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.164 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.05 30.15 0.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.585 ' H ' HG12 ' A' ' 94' ' ' VAL . 2.9 tmtm? -113.4 91.68 3.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.401 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 93.4 mt -57.87 134.7 22.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 67.7 mt -98.49 101.75 12.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.639 0.733 . . . . 0.0 111.139 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 97' ' ' ILE . 53.7 Cg_endo -69.79 81.34 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.322 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.55 HG13 ' CD2' ' A' ' 82' ' ' PHE . 58.4 t -72.99 -60.98 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 100' ' ' VAL . 1.9 mt-10 -36.84 -29.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 100' ' ' VAL . 17.3 mttm -97.85 -56.08 2.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.7 mt -43.56 -51.27 6.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.606 HG11 HG13 ' A' ' 79' ' ' ILE . 33.1 m -51.62 -46.34 37.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.542 ' N ' HG23 ' A' ' 104' ' ' VAL . 1.1 mmmp? -36.29 -32.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 104' ' ' VAL . . . 82.11 36.69 17.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.437 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.4 mmtm -78.07 179.16 6.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.353 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.603 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 4.3 t80 -110.63 -17.67 13.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.501 ' C ' ' CD ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -86.69 -72.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.31 -23.51 1.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -78.28 -34.03 49.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.603 ' CD2' ' O ' ' A' ' 108' ' ' PHE . 2.0 m-85 -62.8 -56.56 16.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -51.49 -37.24 48.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -66.71 -69.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.698 HG23 ' SD ' ' A' ' 27' ' ' MET . 9.9 tp -56.77 -23.62 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -64.59 -52.01 59.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.574 ' CH2' ' HG3' ' A' ' 96' ' ' LYS . 8.5 t90 -76.15 -42.45 46.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -41.35 -49.16 3.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.527 ' HG2' ' CD2' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -46.93 -47.94 21.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.516 ' HB2' HG21 ' A' ' 12' ' ' VAL . 7.6 mttt -66.23 -53.49 36.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.599 ' CE2' ' OD1' ' A' ' 125' ' ' ASN . 68.0 t80 -47.12 -30.99 3.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.38 -42.24 79.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.84 -27.86 58.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.409 ' HB1' HG11 ' A' ' 10' ' ' VAL . . . -67.37 -38.9 85.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.788 ' HB2' HD22 ' A' ' 58' ' ' LEU . 1.6 m120 -90.53 -53.23 4.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.511 ' CE2' ' HA2' ' A' ' 128' ' ' GLY . 62.6 t80 -42.44 122.3 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -117.03 33.61 5.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.511 ' HA2' ' CE2' ' A' ' 126' ' ' TYR . . . 69.8 74.8 0.62 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.451 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -138.43 129.4 26.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -68.87 122.71 19.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -129.92 139.15 51.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.437 ' HA ' ' HD2' ' A' ' 133' ' ' PRO . 7.3 m120 -104.23 104.97 47.11 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.62 0.724 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.473 ' O ' ' HB3' ' A' ' 136' ' ' ALA . 53.8 Cg_endo -69.68 -49.59 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 135' ' ' LEU . 12.6 mt -55.18 -65.8 0.52 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.654 HD23 ' H ' ' A' ' 135' ' ' LEU . 0.2 OUTLIER -33.17 -39.08 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 133' ' ' PRO . . . -40.91 -55.98 2.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 137' ' ' ARG . 5.1 mmm180 -134.94 46.18 2.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.68 147.59 31.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -166.51 -46.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.521 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.404 ' H ' ' NE2' ' A' ' 140' ' ' GLN . 0.6 OUTLIER -139.88 169.7 17.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.69 -41.3 4.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 143' ' ' ALA . 96.0 t -38.62 -40.84 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 142' ' ' VAL . . . -35.88 136.24 0.5 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.566 0.698 . . . . 0.0 111.108 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . 0.434 ' HA ' ' HD2' ' A' ' 145' ' ' PRO . 54.0 Cg_endo -69.73 110.37 2.53 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.344 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 144' ' ' PRO . 53.3 Cg_endo -69.81 166.3 28.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.723 2.282 . . . . 0.0 112.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 139.47 40.08 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -101.48 137.23 19.57 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.617 0.722 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -161.68 0.08 OUTLIER 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 174.27 128.88 1.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -106.49 126.3 52.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.495 ' C ' HD12 ' A' ' 152' ' ' ILE . 19.4 tt0 -126.18 144.57 50.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.495 HD12 ' C ' ' A' ' 151' ' ' GLN . 5.0 mp -138.83 118.8 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.126 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -145.31 118.93 9.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 10.9 t -138.04 165.88 25.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -166.47 159.57 32.92 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.532 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 167.39 24.53 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.383 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 6.4 t -61.96 142.77 57.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.4 t -101.66 -61.71 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.491 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -88.28 111.29 21.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.829 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.1 p -93.41 -24.8 17.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.43 171.91 38.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -172.55 122.65 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.364 . . . . 0.0 110.862 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.7 p -108.56 175.65 5.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.69 -37.48 2.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.1 mmt -113.88 168.01 10.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.8 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . -85.48 139.97 31.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.9 t -105.79 95.68 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.168 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.545 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 1.2 m-80 -43.94 113.82 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.439 ' CG2' ' HA ' ' A' ' 121' ' ' PHE . 35.1 t -74.64 97.5 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 11' ' ' ASN . 7.5 m-85 -119.22 78.88 1.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.0 p -111.39 166.3 11.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.2 t -131.65 124.48 29.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.153 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 17' ' ' VAL . 3.3 m -162.92 162.65 26.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.569 HG22 ' H ' ' A' ' 19' ' ' SER . 9.0 p -34.13 139.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.0 t -76.66 6.72 5.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.569 ' H ' HG22 ' A' ' 17' ' ' VAL . 1.6 t -115.11 14.22 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 21' ' ' ASN . 0.8 OUTLIER -97.87 120.77 38.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 20' ' ' GLU . 32.5 m-20 -173.2 160.87 4.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.7 mt -84.3 168.56 15.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 24' ' ' ARG . 2.2 m -111.92 158.86 18.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 23' ' ' SER . 9.7 mtm-85 -33.92 -68.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.816 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 24' ' ' ARG . 46.4 t60 -36.28 -69.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 29' ' ' ALA . 1.1 m-20 -50.91 -64.4 0.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.445 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 3.7 mmt -34.65 -47.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.409 HD11 ' CA ' ' A' ' 41' ' ' LYS . 20.1 mt -75.63 -37.36 59.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 26' ' ' ASP . . . -60.1 -40.53 89.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.098 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.56 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 30.0 t90 -56.52 -46.09 80.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.505 HG11 HD21 ' A' ' 45' ' ' LEU . 33.8 t -75.16 -45.84 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.145 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -60.51 -11.12 6.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -115.45 -29.94 6.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.1 m -60.96 -52.84 63.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.586 HD22 ' HG2' ' A' ' 53' ' ' GLN . 0.8 OUTLIER -123.8 18.22 9.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 62.97 53.88 2.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.495 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.5 mm? -86.09 158.76 19.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -118.71 39.63 3.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.575 ' HE2' ' HB2' ' A' ' 50' ' ' ALA . 29.8 m-85 -85.97 118.16 25.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 40' ' ' THR . 28.9 m -93.11 -8.38 42.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' CA ' HD11 ' A' ' 28' ' ' LEU . 41.1 mtpt -142.23 128.85 20.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.533 HG13 ' CE1' ' A' ' 112' ' ' PHE . 4.6 mm -46.14 -45.44 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -49.6 -35.26 20.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.41 ' C ' ' N ' ' A' ' 46' ' ' CYS . 13.1 mm-40 -51.17 -48.4 61.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.541 HD13 HD13 ' A' ' 115' ' ' ILE . 18.0 mt -43.56 -23.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 47' ' ' SER . 30.3 p -42.87 -38.94 2.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.502 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 42.5 m -34.39 -48.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.09 -38.77 3.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 69' ' ' LYS . . . -43.44 -60.0 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.32 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.575 ' HB2' ' HE2' ' A' ' 39' ' ' TYR . . . -39.87 -60.12 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 45' ' ' LEU . 18.1 m-85 -51.43 -39.32 57.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.416 ' O ' HG11 ' A' ' 63' ' ' VAL . 32.9 m -66.21 -46.96 75.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.586 ' HG2' HD22 ' A' ' 35' ' ' LEU . 37.8 tt0 -58.09 -22.49 50.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.493 ' CD2' HD11 ' A' ' 35' ' ' LEU . 11.0 m-85 -78.09 -45.86 22.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 54.7 mmm -50.06 -37.19 32.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -69.89 -37.6 76.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.482 ' HA ' ' CD2' ' A' ' 131' ' ' TYR . 2.2 ttm -66.47 -57.09 8.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.526 HD21 ' CD1' ' A' ' 122' ' ' PHE . 16.3 mt -61.23 -60.72 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' A' ' 62' ' ' CYS . 5.6 m-85 -113.76 110.83 49.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.617 0.722 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 138.09 36.97 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.65 2.233 . . . . 0.0 112.335 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.31 22.49 72.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.768 ' SG ' ' HB1' ' A' ' 88' ' ' ALA . 0.5 OUTLIER -99.91 -37.09 9.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 -179.863 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.416 HG11 ' O ' ' A' ' 52' ' ' CYS . 2.7 p -119.47 161.6 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.527 ' O ' HG23 ' A' ' 68' ' ' VAL . 2.5 t-160 -114.3 104.43 12.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.1 mp -71.33 -32.73 68.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -55.62 -33.86 64.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -93.53 10.53 32.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 64' ' ' HIS . 46.8 t -104.65 140.62 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 2.0 mtpp -97.69 103.52 15.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -74.58 -26.89 60.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -120.13 57.27 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.41 130.47 39.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -118.06 -35.22 3.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.5 mt -86.6 158.85 19.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.576 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 3.0 tp10 -60.47 -59.56 5.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -46.41 -36.21 6.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -61.84 -34.09 75.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.576 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 23.3 m-85 -62.13 -35.65 79.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.957 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.76 HG13 HG11 ' A' ' 104' ' ' VAL . 4.6 mp -79.19 -38.6 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.143 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -44.56 -63.18 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 47' ' ' SER . 13.1 p30 -51.77 -33.83 36.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.481 ' CG ' HG22 ' A' ' 100' ' ' VAL . 9.4 m-85 -72.41 -36.75 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -52.77 -60.42 3.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.0 p -61.14 -30.73 48.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.53 -47.07 77.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -49.86 -33.21 16.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.48 -43.75 89.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.768 ' HB1' ' SG ' ' A' ' 62' ' ' CYS . . . -62.8 -11.62 19.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -91.36 -50.78 5.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -69.48 -35.12 75.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 92' ' ' MET . 0.0 OUTLIER -42.98 -43.78 4.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.851 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.8 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 9.0 ptp -97.07 -35.93 10.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 120.42 21.58 3.32 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.531 HG12 ' H ' ' A' ' 96' ' ' LYS . 77.9 t -46.68 118.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 111.157 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -83.09 35.74 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.554 ' HG2' ' CH2' ' A' ' 117' ' ' TRP . 30.7 tptt -128.72 109.11 11.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.5 mp -74.08 139.88 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 42.6 mt -98.7 102.7 15.64 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.575 0.703 . . . . 0.0 111.15 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 82.66 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.66 ' O ' HG22 ' A' ' 104' ' ' VAL . 95.6 t -72.85 -46.05 54.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -58.41 -24.83 61.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -99.34 -35.18 10.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 20.2 mt -68.51 -49.1 62.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.76 HG11 HG13 ' A' ' 79' ' ' ILE . 34.8 m -52.87 -24.24 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -65.68 -28.28 68.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.17 35.86 25.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -78.75 104.16 9.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.596 ' CE2' ' CZ ' ' A' ' 112' ' ' PHE . 3.2 t80 -40.83 -31.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -75.28 -70.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -48.7 -19.91 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -82.03 -46.69 13.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.596 ' CZ ' ' CE2' ' A' ' 108' ' ' PHE . 2.6 m-85 -48.97 -47.75 43.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -56.19 -49.52 73.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -56.6 -70.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.541 HD13 HD13 ' A' ' 45' ' ' LEU . 7.9 tp -51.3 -40.69 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.428 ' N ' HG23 ' A' ' 115' ' ' ILE . 7.6 tp-100 -51.27 -59.15 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.554 ' CH2' ' HG2' ' A' ' 96' ' ' LYS . 8.7 t90 -68.97 -34.09 74.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -55.17 -23.57 22.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.56 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 6.1 tmtm? -76.0 -60.49 2.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.12 -33.16 68.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.439 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 41.3 t80 -69.56 -22.69 63.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.526 ' CD1' HD21 ' A' ' 58' ' ' LEU . 1.3 t80 -76.58 -41.86 44.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -74.6 -28.84 61.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.9 -33.37 75.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -101.93 -49.31 3.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.432 ' CB ' ' O ' ' A' ' 122' ' ' PHE . 77.9 t80 -43.07 110.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.93 -58.54 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 154.4 41.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.446 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -102.85 159.17 15.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -85.05 135.65 33.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.482 ' CD2' ' HA ' ' A' ' 57' ' ' MET . 48.3 t80 -139.6 121.51 15.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.429 ' HA ' ' HD2' ' A' ' 133' ' ' PRO . 3.0 m120 -91.93 108.76 32.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.729 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 132' ' ' ASN . 53.8 Cg_endo -69.73 -31.14 21.25 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.347 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 136' ' ' ALA . 69.6 mt -70.31 -73.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.479 ' C ' ' O ' ' A' ' 134' ' ' LEU . 2.7 mt -31.74 -36.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 134' ' ' LEU . . . -41.23 -51.39 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -135.0 22.38 3.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.489 ' NE2' ' OD1' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -79.61 147.62 32.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -114.26 -58.18 0.38 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.83 133.36 47.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.317 . . . . 0.0 110.906 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.489 ' OD1' ' NE2' ' A' ' 138' ' ' GLN . 48.3 m-20 -87.49 -38.0 16.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 141' ' ' ASP . 96.2 t -36.29 -36.75 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -37.99 134.58 0.85 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 111.072 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 126.98 13.93 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 160.59 49.12 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.667 2.245 . . . . 0.0 112.346 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 160.73 48.62 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -171.56 133.39 0.85 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -161.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.661 2.241 . . . . 0.0 112.377 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 118.53 85.44 1.02 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -121.29 36.08 4.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.715 0.293 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -101.78 119.49 38.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 5.2 mp -134.42 135.94 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -86.1 -52.19 5.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 90.3 p -149.42 159.16 44.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -132.66 149.76 19.58 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -22.27 32.71 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.251 . . . . 0.0 112.387 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 5.1 m 54.92 42.47 31.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 93.7 p -144.92 173.98 11.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 p -90.57 106.37 18.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 0.0 110.847 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -99.09 140.18 33.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.56 143.74 3.52 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 t -129.05 96.25 4.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.915 0.388 . . . . 0.0 110.883 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.3 p -160.49 121.07 2.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.88 -48.2 0.96 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.2 mmt -93.3 177.26 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 0.0 110.939 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.23 122.15 44.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.611 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 74.8 t -83.63 88.1 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 10' ' ' VAL . 1.3 m-80 -34.18 149.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.4 t -104.35 81.83 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.444 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 16.2 p90 -130.01 82.88 2.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.0 p -101.87 176.63 5.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.4 t -101.0 -23.82 14.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 96.3 p -52.58 154.7 2.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.524 HG22 ' OG ' ' A' ' 19' ' ' SER . 14.8 p -56.11 -34.74 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 17' ' ' VAL . 10.1 t 33.26 47.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.524 ' OG ' HG22 ' A' ' 17' ' ' VAL . 62.5 m -103.56 10.87 36.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -80.58 115.31 20.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -102.65 124.48 48.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 72.6 mt -72.82 171.71 12.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 24' ' ' ARG . 62.9 p -111.84 151.29 29.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 23' ' ' SER . 18.0 ptt-85 -35.77 -37.05 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -61.07 -63.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -61.0 -48.67 80.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.406 ' CB ' HD11 ' A' ' 42' ' ' ILE . 2.2 mmt -49.78 -43.48 48.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.442 HD11 ' HA ' ' A' ' 41' ' ' LYS . 19.7 mt -79.18 -36.94 39.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.2 -38.52 86.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.537 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 16.2 t90 -58.18 -43.48 87.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.458 HG12 HD23 ' A' ' 37' ' ' LEU . 23.5 t -79.34 -38.92 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -66.13 -7.72 19.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -115.32 -36.05 4.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.8 m -57.75 -65.58 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.622 HD13 ' HB3' ' A' ' 53' ' ' GLN . 4.2 mt -105.8 13.52 29.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 63.5 55.02 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.503 ' CD2' ' HB2' ' A' ' 35' ' ' LEU . 2.3 mm? -82.94 166.25 19.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -127.72 31.5 5.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -75.73 127.11 32.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.437 HG23 ' HE2' ' A' ' 41' ' ' LYS . 10.3 t -95.65 -7.41 37.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.106 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.442 ' HA ' HD11 ' A' ' 28' ' ' LEU . 35.9 mtmt -149.88 134.87 17.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.555 HG13 ' CE1' ' A' ' 112' ' ' PHE . 3.4 mm -46.31 -46.92 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -42.62 -41.38 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 46' ' ' CYS . 17.2 mm-40 -47.74 -49.38 28.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.471 HD13 HD13 ' A' ' 115' ' ' ILE . 30.5 mt -40.01 -27.96 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 47' ' ' SER . 32.0 p -42.41 -39.24 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.494 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 43.2 p -34.34 -49.03 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 106.34 -45.99 1.23 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -37.35 -52.76 1.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.803 0.335 . . . . 0.0 111.086 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.77 -62.11 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -47.5 -41.15 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.8 m -64.01 -55.73 20.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.622 ' HB3' HD13 ' A' ' 35' ' ' LEU . 6.8 tp60 -49.86 -25.83 3.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -73.86 -45.74 49.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.435 ' HB2' HG11 ' A' ' 63' ' ' VAL . 33.0 mmm -53.19 -34.03 55.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -63.93 -50.32 69.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.1 ttp -64.65 -52.51 56.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.775 HD21 ' CD2' ' A' ' 122' ' ' PHE . 75.0 mt -59.66 -60.22 4.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.494 ' CZ ' ' HE1' ' A' ' 92' ' ' MET . 6.8 m-85 -120.71 106.62 39.38 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.635 0.731 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.6 Cg_endo -69.74 142.47 48.11 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.742 2.295 . . . . 0.0 112.332 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.45 26.88 70.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.3 t -113.45 -32.81 6.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.435 HG11 ' HB2' ' A' ' 55' ' ' MET . 4.8 p -123.65 145.73 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.162 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.638 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 2.2 t60 -100.89 126.07 47.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mp -92.47 -32.38 14.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.591 ' HB2' ' CD2' ' A' ' 64' ' ' HIS . 9.2 mtt180 -58.87 -22.79 59.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.638 ' HG3' ' CD2' ' A' ' 64' ' ' HIS . 6.6 mttp -104.08 12.46 33.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 64' ' ' HIS . 24.5 t -102.23 133.98 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.451 ' HG2' ' CD2' ' A' ' 80' ' ' HIS . 38.0 mmtt -92.16 102.83 15.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -81.24 -38.44 26.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -91.78 27.31 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.1 119.07 4.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -115.85 -37.88 3.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.4 mt -84.36 175.81 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.507 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 21.9 tt0 -70.25 -56.33 7.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -53.67 -28.09 31.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.83 -26.69 62.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.507 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 23.1 m-85 -71.03 -25.43 62.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.573 HG13 HG11 ' A' ' 104' ' ' VAL . 5.0 mp -88.14 -44.26 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.451 ' CD2' ' HG2' ' A' ' 69' ' ' LYS . 57.8 t60 -37.14 -52.53 1.01 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 47' ' ' SER . 9.3 p30 -60.6 -36.11 77.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.506 ' CD2' HG13 ' A' ' 100' ' ' VAL . 15.9 m-85 -69.82 -54.13 15.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 82' ' ' PHE . 60.4 mttt -34.15 -61.0 0.38 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.8 p -61.85 -37.53 78.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 82' ' ' PHE . 51.5 tp -60.58 -39.33 87.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.473 ' HA ' HD12 ' A' ' 98' ' ' ILE . 9.5 mm-40 -57.91 -34.33 69.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.63 -38.63 87.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.61 -32.86 73.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -70.27 -48.56 56.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -68.77 -42.91 76.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -38.43 -55.93 1.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.494 ' HE1' ' CZ ' ' A' ' 59' ' ' PHE . 4.9 ptm -77.41 -47.92 18.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 125.4 44.77 0.26 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.423 HG23 ' CG ' ' A' ' 92' ' ' MET . 39.7 t -77.37 128.17 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.366 . . . . 0.0 111.121 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -87.72 37.63 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -126.86 122.78 35.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 93.8 mt -82.45 144.17 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.473 HD12 ' HA ' ' A' ' 86' ' ' GLN . 64.2 mt -103.01 97.63 9.98 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.649 0.738 . . . . 0.0 111.131 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 80.55 0.85 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.701 2.268 . . . . 0.0 112.32 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.506 HG13 ' CD2' ' A' ' 82' ' ' PHE . 58.7 t -69.94 -61.87 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 100' ' ' VAL . 0.9 OUTLIER -36.67 -30.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 100' ' ' VAL . 0.0 OUTLIER -94.83 -52.89 4.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.8 mt -48.97 -47.62 43.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.573 HG11 HG13 ' A' ' 79' ' ' ILE . 34.0 m -51.72 -28.01 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -58.55 -38.14 77.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.63 32.48 18.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 109' ' ' GLN . 29.4 mtmt -75.53 105.28 6.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.794 0.33 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.548 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 1.8 t80 -36.47 -29.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 107' ' ' LYS . 4.8 tp60 -78.53 -70.58 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -44.86 -21.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.633 ' O ' HG22 ' A' ' 115' ' ' ILE . 4.9 m-80 -84.03 -45.16 13.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.555 ' CE1' HG13 ' A' ' 42' ' ' ILE . 3.1 m-85 -50.19 -45.85 53.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -58.25 -51.38 69.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -57.37 -68.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.633 HG22 ' O ' ' A' ' 111' ' ' ASN . 6.3 tp -49.03 -40.23 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.169 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.47 ' CG ' ' O ' ' A' ' 112' ' ' PHE . 1.7 mm-40 -53.38 -60.28 3.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.436 ' CE2' ' HB2' ' A' ' 121' ' ' PHE . 20.7 t90 -65.74 -32.27 73.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -56.81 -28.69 61.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.537 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 20.8 tptt -62.32 -68.97 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.426 ' CE ' ' HA ' ' A' ' 117' ' ' TRP . 21.8 pttt -58.01 -42.23 84.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.436 ' HB2' ' CE2' ' A' ' 117' ' ' TRP . 35.5 t80 -54.7 -30.05 54.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.775 ' CD2' HD21 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -79.19 -28.54 42.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -77.53 -36.09 52.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.25 -23.68 65.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.611 ' ND2' ' H ' ' A' ' 10' ' ' VAL . 1.4 m120 -105.51 -47.53 3.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.735 ' CD2' ' CZ ' ' A' ' 122' ' ' PHE . 31.9 t80 -51.23 135.63 25.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.92 -54.17 2.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 163.42 65.79 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.451 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.07 135.97 46.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -84.02 133.43 34.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.805 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -122.5 140.14 53.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.403 ' HA ' ' HD2' ' A' ' 133' ' ' PRO . 3.9 m120 -102.61 98.68 11.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.721 . . . . 0.0 110.841 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 132' ' ' ASN . 54.6 Cg_endo -69.72 -27.81 26.22 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.671 2.247 . . . . 0.0 112.39 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 20.3 mt -71.34 -54.37 11.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 61.6 mt -51.73 -41.9 61.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -40.08 -37.48 0.61 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 138' ' ' GLN . 5.9 mmm180 -97.0 -45.77 6.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' A' ' 137' ' ' ARG . 42.5 mm-40 -33.13 143.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -177.28 -48.99 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.45 161.85 26.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 142' ' ' VAL . 1.0 OUTLIER -81.61 -40.23 23.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 141' ' ' ASP . 92.5 t -35.43 -48.36 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -39.9 141.86 0.73 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.62 0.724 . . . . 0.0 111.074 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 114.4 3.69 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.701 2.268 . . . . 0.0 112.319 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 158.48 56.72 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.648 2.232 . . . . 0.0 112.307 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 174.19 9.87 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.662 2.241 . . . . 0.0 112.38 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -132.91 125.52 19.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.739 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -7.51 21.22 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.342 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -71.09 -142.75 0.26 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -157.46 138.57 13.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.815 0.341 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -74.08 92.87 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -94.57 176.35 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -120.64 132.29 55.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.5 t -119.24 -58.53 1.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 69.97 -156.89 53.51 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 111.59 2.85 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.721 2.281 . . . . 0.0 112.354 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 158' ' ' SER . 57.9 p -61.09 174.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 157' ' ' SER . 28.1 m -37.25 -45.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 p -153.85 136.12 14.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 t -97.41 -46.72 5.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.37 159.56 9.5 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 6' ' ' SER . 93.3 p -94.65 39.69 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 5' ' ' SER . 11.3 m -36.52 -43.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.34 107.6 0.2 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.445 ' O ' ' CE1' ' A' ' 59' ' ' PHE . 24.0 mmt -115.19 174.34 6.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.731 0.301 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.806 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . -89.37 161.87 16.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 11' ' ' ASN . 67.4 t -128.69 85.66 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' VAL . 2.0 m-80 -35.64 135.2 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.594 HG11 ' HB2' ' A' ' 120' ' ' LYS . 1.0 OUTLIER -118.66 79.66 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.509 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 12.1 p90 -132.68 76.07 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.1 m -135.54 174.98 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.6 p -87.12 163.3 17.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.143 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 17' ' ' VAL . 89.6 p -174.11 135.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 16' ' ' SER . 10.6 p -34.18 140.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -34.66 115.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.0 m -128.4 113.38 15.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 21' ' ' ASN . 12.2 mt-10 -66.48 104.38 1.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -34.87 133.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.422 HD22 ' HB3' ' A' ' 26' ' ' ASP . 61.0 mt -45.03 164.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 25' ' ' HIS . 68.2 p -106.47 154.66 20.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.568 ' HA ' HD11 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -37.17 -28.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 23' ' ' SER . 13.4 t-160 -68.8 -64.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.422 ' HB3' HD22 ' A' ' 22' ' ' LEU . 1.9 m-20 -55.98 -56.85 15.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.603 ' HB2' HD11 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -42.72 -41.16 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.456 HD22 ' CB ' ' A' ' 39' ' ' TYR . 45.0 mt -79.61 -38.59 33.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.47 -37.06 79.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.047 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.539 ' CD2' ' HD2' ' A' ' 119' ' ' LYS . 17.7 t90 -62.22 -42.92 99.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.61 HG12 ' HB2' ' A' ' 37' ' ' LEU . 80.9 t -76.39 -42.04 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 2.0 m-80 -59.31 -14.08 10.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -106.84 -27.64 10.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.1 m -66.02 -60.19 3.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.664 ' C ' ' CD2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -123.55 42.07 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.664 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 6.3 p80 41.17 54.97 3.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.61 ' HB2' HG12 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -84.54 148.81 26.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -112.5 39.56 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.534 ' CE2' ' HG ' ' A' ' 37' ' ' LEU . 20.9 m-85 -78.14 114.02 16.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 44.8 p -95.21 -4.64 45.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -149.58 131.19 14.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.603 HD11 ' HB2' ' A' ' 27' ' ' MET . 11.7 mm -47.52 -35.97 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -57.46 -36.27 71.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 46' ' ' CYS . 22.1 mt-30 -53.84 -46.78 71.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.2 mt -40.67 -25.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' GLN . 30.4 p -44.95 -36.82 3.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.465 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 38.9 m -34.42 -46.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 97.7 -42.83 2.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.528 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -36.24 -62.97 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.084 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.7 -60.88 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -45.66 -40.11 8.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.434 ' HB3' HG21 ' A' ' 68' ' ' VAL . 11.1 m -64.66 -59.17 4.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.606 ' HA ' HD11 ' A' ' 65' ' ' LEU . 46.0 tt0 -52.58 -23.5 6.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -71.7 -49.16 42.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 42.1 mmm -43.19 -42.56 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -64.69 -44.08 91.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.567 ' HA ' ' CE2' ' A' ' 131' ' ' TYR . 8.6 tpp -51.43 -47.96 62.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.523 HD22 ' HB2' ' A' ' 125' ' ' ASN . 19.7 mt -82.67 -61.84 1.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.445 ' CE1' ' O ' ' A' ' 8' ' ' MET . 1.8 m-85 -109.64 96.53 23.85 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.633 0.73 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.78 142.83 48.9 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.307 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.99 16.71 80.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.4 m -107.07 -34.99 6.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.4 p -116.55 145.92 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.452 ' O ' HG23 ' A' ' 68' ' ' VAL . 4.7 t-160 -100.14 98.96 9.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.606 HD11 ' HA ' ' A' ' 53' ' ' GLN . 2.1 mp -64.45 -39.69 94.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 5.5 mmm180 -47.12 -42.97 20.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -76.01 -26.56 56.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 64' ' ' HIS . 69.6 t -64.3 131.24 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.187 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.474 ' CD ' ' OE1' ' A' ' 77' ' ' GLU . 65.1 mttt -98.87 96.26 7.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -67.25 -37.96 84.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -86.99 43.86 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.63 130.47 35.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -131.85 -36.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.5 mt -78.66 166.82 22.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.496 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 14.0 tt0 -63.0 -62.49 1.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.556 ' CE1' ' HG2' ' A' ' 77' ' ' GLU . 10.1 p80 -45.74 -44.71 13.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.556 ' HG2' ' CE1' ' A' ' 76' ' ' HIS . 13.9 mm-40 -50.7 -36.42 35.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.496 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.5 m-85 -61.81 -41.72 98.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.1 mp -69.92 -55.0 16.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.459 ' CG ' ' HE3' ' A' ' 69' ' ' LYS . 13.5 t60 -37.53 -52.58 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.82 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.77 -44.23 97.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.467 ' CG ' HG22 ' A' ' 100' ' ' VAL . 10.3 m-85 -62.85 -33.35 75.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -54.38 -71.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.6 p -46.63 -39.02 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.4 tp -60.73 -40.27 91.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -51.69 -46.47 63.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.951 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.47 -40.04 64.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.46 -34.85 77.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.452 ' CG ' HD11 ' A' ' 98' ' ' ILE . 2.8 m-85 -68.36 -46.83 69.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 91' ' ' LYS . 37.0 mmtm -69.7 -42.04 74.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 90' ' ' LYS . 12.0 mtpp -34.65 -40.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.806 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 19.2 ptp -100.55 -43.21 6.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.64 21.51 1.77 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.807 HG12 ' H ' ' A' ' 96' ' ' LYS . 86.2 t -44.77 116.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 111.129 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.2 10.26 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.807 ' H ' HG12 ' A' ' 94' ' ' VAL . 13.1 tptm -104.39 98.13 7.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 47.1 mm -61.81 147.33 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.452 HD11 ' CG ' ' A' ' 89' ' ' PHE . 24.1 mt -103.34 100.16 17.27 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.562 0.696 . . . . 0.0 111.175 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 79.24 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.371 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.467 HG22 ' CG ' ' A' ' 82' ' ' PHE . 95.7 t -67.93 -58.83 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -39.45 -38.13 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -87.92 -44.83 10.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 103' ' ' LEU . 13.6 mt -54.92 -54.86 37.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.514 HG23 ' N ' ' A' ' 105' ' ' LYS . 34.1 m -45.0 -45.56 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.514 ' N ' HG23 ' A' ' 104' ' ' VAL . 10.4 mmmm -45.13 -33.93 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.71 39.95 10.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.514 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 109' ' ' GLN . 11.4 mmmt -77.47 106.02 8.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.588 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 1.8 t80 -40.16 -26.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.498 ' C ' ' CD ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -80.53 -72.22 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -48.34 -23.39 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.496 ' HB3' HG22 ' A' ' 42' ' ' ILE . 2.0 m-80 -80.86 -41.28 23.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.588 ' CD2' ' O ' ' A' ' 108' ' ' PHE . 2.3 m-85 -51.23 -56.73 11.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 114' ' ' PHE . 9.1 mt-10 -49.57 -65.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' GLU . 5.8 t80 -34.89 -70.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.431 HG23 ' N ' ' A' ' 116' ' ' GLN . 9.0 tp -54.13 -39.98 44.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.431 ' N ' HG23 ' A' ' 115' ' ' ILE . 10.9 tp60 -53.77 -37.17 63.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.565 ' CZ3' ' HG2' ' A' ' 96' ' ' LYS . 22.9 t90 -86.1 -50.44 7.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -42.73 -24.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.539 ' HD2' ' CD2' ' A' ' 30' ' ' TRP . 14.1 tptm -58.57 -69.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.594 ' HB2' HG11 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -59.92 -35.71 75.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.583 ' HE1' ' HB1' ' A' ' 9' ' ' ALA . 42.4 t80 -59.09 -18.96 40.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -89.05 -44.95 10.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -68.85 -37.69 79.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.26 -44.79 53.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.523 ' HB2' HD22 ' A' ' 58' ' ' LEU . 4.3 m-80 -92.1 -45.85 8.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -50.0 122.84 7.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -121.78 41.64 3.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 64.41 78.31 0.21 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.497 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -135.17 115.8 13.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.755 0.312 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -50.47 127.1 16.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.567 ' CE2' ' HA ' ' A' ' 57' ' ' MET . 27.5 t80 -135.37 120.05 18.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.964 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.458 ' CB ' HD12 ' A' ' 135' ' ' LEU . 3.4 m120 -94.68 104.94 15.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.504 ' HB2' ' CD2' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.76 -51.26 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.516 HD23 ' CE1' ' A' ' 36' ' ' HIS . 6.9 mt -52.79 -59.66 4.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.458 HD12 ' CB ' ' A' ' 132' ' ' ASN . 62.7 mt -40.0 -41.31 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 133' ' ' PRO . . . -41.79 -54.11 3.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 25.1 ptt85 -116.89 50.06 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -103.32 151.57 22.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -116.97 -40.04 0.78 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.486 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -136.82 163.52 30.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.841 0.353 . . . . 0.0 110.894 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -102.74 -42.66 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 143' ' ' ALA . 72.7 t -40.83 -41.87 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 142' ' ' VAL . . . -34.36 135.75 0.37 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.56 0.695 . . . . 0.0 111.117 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . 0.403 ' HA ' ' HD2' ' A' ' 145' ' ' PRO . 53.2 Cg_endo -69.76 112.41 3.07 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.729 2.286 . . . . 0.0 112.303 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 144' ' ' PRO . 54.1 Cg_endo -69.74 166.24 28.25 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.683 2.256 . . . . 0.0 112.351 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 166.63 26.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.628 2.218 . . . . 0.0 112.325 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -119.01 130.47 24.82 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.612 0.72 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 2.78 3.2 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.7 2.267 . . . . 0.0 112.338 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -127.17 113.74 1.8 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -152.4 137.38 17.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.716 0.293 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 53.81 47.69 23.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.72 ' H ' HD12 ' A' ' 152' ' ' ILE . 5.4 mp -61.47 111.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.14 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -147.61 167.25 25.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 69.8 m -139.47 129.83 25.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -72.75 151.62 46.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -174.06 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 29.7 p -39.99 132.31 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 34.4 t -124.99 104.81 8.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.527 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p -112.83 -43.98 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 110.858 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.4 p -83.15 -44.85 14.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.36 73.6 0.66 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.535 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 p -109.08 152.14 25.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.917 0.389 . . . . 0.0 110.799 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 t -73.62 -48.2 34.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.68 125.35 1.03 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.9 mmt -117.04 160.86 20.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.338 . . . . 0.0 110.836 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.709 ' HB2' ' SD ' ' A' ' 92' ' ' MET . . . -82.97 142.88 31.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.6 HG23 ' OD1' ' A' ' 125' ' ' ASN . 68.2 t -109.18 85.14 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' VAL . 1.4 m-80 -35.09 126.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.556 HG21 ' HA ' ' A' ' 121' ' ' PHE . 21.7 t -97.76 82.48 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -130.27 74.15 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m -152.75 176.73 11.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.9 t -133.47 41.17 3.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.599 ' O ' HG23 ' A' ' 18' ' ' THR . 24.9 p -127.61 170.41 12.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.548 ' O ' HG22 ' A' ' 17' ' ' VAL . 7.6 p 41.07 30.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 16' ' ' SER . 17.8 p -103.94 95.74 6.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 20' ' ' GLU . 17.4 m -79.16 -179.87 6.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' SER . 9.2 mm-40 -35.42 113.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -71.14 125.8 27.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.844 HD22 ' HB3' ' A' ' 26' ' ' ASP . 18.0 mt -53.63 172.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 m -133.68 -74.94 0.48 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -132.14 -67.39 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -50.0 -62.15 1.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.844 ' HB3' HD22 ' A' ' 22' ' ' LEU . 4.0 m-20 -53.17 -43.32 66.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.599 ' HE2' ' HA ' ' A' ' 27' ' ' MET . 1.8 mmt -54.51 -40.38 68.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.3 mt -79.94 -39.38 30.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.25 -47.13 84.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.069 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.538 ' CE2' ' HD2' ' A' ' 119' ' ' LYS . 14.6 t90 -50.98 -45.79 61.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.5 t -74.61 -41.63 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -55.53 -20.55 13.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -103.72 -27.52 12.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.498 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 23.7 m -63.23 -58.0 8.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.656 ' C ' ' CD2' ' A' ' 36' ' ' HIS . 0.8 OUTLIER -124.44 37.01 4.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.656 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 7.0 p80 46.41 54.93 8.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.637 HD12 ' CE2' ' A' ' 39' ' ' TYR . 2.6 mm? -84.05 162.43 20.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -133.93 37.24 3.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.637 ' CE2' HD12 ' A' ' 37' ' ' LEU . 24.0 m-85 -79.8 117.25 20.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.405 ' O ' HG22 ' A' ' 40' ' ' THR . 60.9 m -83.59 -13.6 54.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -143.34 142.52 31.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.581 HG13 ' CE1' ' A' ' 112' ' ' PHE . 14.4 mm -54.27 -40.85 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -52.05 -28.0 15.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -63.3 -44.92 93.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.454 HD13 HD13 ' A' ' 115' ' ' ILE . 14.8 mt -41.94 -28.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 47' ' ' SER . 30.4 p -36.21 -36.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 46' ' ' CYS . 2.8 p -34.46 -41.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . 87.85 -46.94 3.49 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 48' ' ' GLY . . . -33.65 -55.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.8 -59.85 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -45.9 -40.48 10.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.925 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.405 ' O ' HG11 ' A' ' 63' ' ' VAL . 29.6 m -64.14 -54.33 35.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.549 ' HA ' HD11 ' A' ' 65' ' ' LEU . 25.9 tt0 -53.13 -32.14 45.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.498 ' CE1' ' HB3' ' A' ' 34' ' ' SER . 10.0 m-85 -63.62 -52.3 61.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 65.5 mmm -43.87 -43.3 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -62.15 -48.1 81.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.517 ' HA ' ' CD2' ' A' ' 131' ' ' TYR . 3.4 ttm -57.23 -63.04 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.426 ' CD2' ' HB2' ' A' ' 126' ' ' TYR . 51.6 mt -54.44 -63.56 1.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -113.33 115.87 46.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 138.28 37.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.342 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.1 22.16 70.46 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 31.4 t -95.81 -28.12 14.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.86 0.362 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.405 HG11 ' O ' ' A' ' 52' ' ' CYS . 3.9 p -131.66 162.95 38.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.511 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 3.6 t-160 -113.71 95.36 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.549 HD11 ' HA ' ' A' ' 53' ' ' GLN . 3.9 mp -62.48 -27.16 68.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.511 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 6.6 tpm_? -57.0 -39.26 74.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -83.26 -14.38 53.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.4 t -74.43 131.4 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.566 ' HE3' ' CD2' ' A' ' 80' ' ' HIS . 34.8 mttt -102.73 102.88 13.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.459 ' CD2' ' NE ' ' A' ' 137' ' ' ARG . 3.4 m-85 -75.46 -38.24 59.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -84.78 37.84 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.48 123.64 24.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -121.47 -36.88 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 77.9 mt -79.6 164.24 23.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.579 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.5 tt0 -63.92 -59.02 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.417 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 2.3 p80 -45.46 -40.37 8.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' A' ' 76' ' ' HIS . 12.4 mt-10 -57.36 -35.81 70.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.579 ' CD2' ' HA ' ' A' ' 75' ' ' GLU . 22.1 m-85 -61.4 -40.55 94.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.46 HG13 HG11 ' A' ' 104' ' ' VAL . 4.2 mp -70.17 -46.49 71.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.566 ' CD2' ' HE3' ' A' ' 69' ' ' LYS . 26.5 t60 -45.86 -63.17 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -44.25 -36.2 2.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.819 ' CD2' HG13 ' A' ' 100' ' ' VAL . 13.0 m-85 -75.49 -42.65 52.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -42.8 -57.84 2.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.85 -34.78 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.496 HD23 ' HD1' ' A' ' 82' ' ' PHE . 42.4 tp -62.47 -45.46 92.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.511 ' HA ' HD12 ' A' ' 98' ' ' ILE . 6.7 mm-40 -50.92 -37.22 42.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.87 90.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.18 -15.79 11.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -87.86 -53.81 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -67.93 -33.07 73.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 92' ' ' MET . 0.0 OUTLIER -44.84 -37.43 3.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.709 ' SD ' ' HB2' ' A' ' 9' ' ' ALA . 8.8 ptp -102.34 -40.17 6.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.43 22.37 1.2 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.564 HG23 ' HG3' ' A' ' 92' ' ' MET . 27.6 t -60.85 110.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.18 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -83.02 35.49 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.571 ' HE2' ' CE3' ' A' ' 117' ' ' TRP . 2.1 tmtm? -112.33 85.46 2.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 86.2 mt -48.47 136.34 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 86' ' ' GLN . 68.6 mt -103.66 99.41 15.62 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.637 0.732 . . . . 0.0 111.12 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 79.94 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.336 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.819 HG13 ' CD2' ' A' ' 82' ' ' PHE . 41.5 t -69.93 -63.18 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -38.81 -26.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 100' ' ' VAL . 18.4 mttt -96.89 -47.82 5.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 103' ' ' LEU . 21.0 mt -55.58 -46.96 77.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.46 HG11 HG13 ' A' ' 79' ' ' ILE . 25.3 m -55.83 -34.25 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -45.93 -35.51 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 88.15 33.12 11.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -77.31 176.95 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.347 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.594 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 2.5 t80 -106.78 -36.32 6.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.425 ' C ' ' N ' ' A' ' 111' ' ' ASN . 3.7 tp60 -74.7 -70.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -43.43 -22.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.566 ' O ' HG22 ' A' ' 115' ' ' ILE . 2.3 m-80 -84.07 -48.08 10.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.594 ' CE2' ' CE2' ' A' ' 108' ' ' PHE . 2.5 m-85 -46.99 -49.69 20.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -56.01 -48.15 76.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.469 ' CE1' ' HE3' ' A' ' 96' ' ' LYS . 8.9 t80 -60.95 -71.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.82 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.566 HG22 ' O ' ' A' ' 111' ' ' ASN . 6.7 tp -49.05 -42.76 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.499 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 1.3 tp60 -52.37 -57.48 9.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.571 ' CE3' ' HE2' ' A' ' 96' ' ' LYS . 16.7 t90 -65.74 -32.35 73.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.401 ' HE2' ' CD2' ' A' ' 54' ' ' PHE . 2.7 t80 -55.74 -33.58 64.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.839 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.538 ' HD2' ' CE2' ' A' ' 30' ' ' TRP . 24.0 tptp -61.13 -71.03 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.412 ' HG3' HG11 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -50.19 -39.17 43.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.822 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.556 ' HA ' HG21 ' A' ' 12' ' ' VAL . 50.0 t80 -64.29 -29.85 70.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.523 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -72.56 -41.21 66.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -74.16 -35.4 64.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.41 -36.22 31.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.6 ' OD1' HG23 ' A' ' 10' ' ' VAL . 32.4 m-80 -103.92 -46.55 4.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.426 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 62.6 t80 -52.56 101.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -95.02 40.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 65.41 47.96 73.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.518 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.407 ' NZ ' ' O ' ' A' ' 57' ' ' MET . 12.2 ptmm? -101.19 108.24 19.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -50.35 122.39 6.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.517 ' CD2' ' HA ' ' A' ' 57' ' ' MET . 7.7 t80 -136.54 118.19 14.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -84.18 113.92 51.29 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.654 0.74 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.476 ' O ' ' HB3' ' A' ' 136' ' ' ALA . 54.0 Cg_endo -69.77 -50.87 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.663 2.242 . . . . 0.0 112.363 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 135' ' ' LEU . 6.7 mt -53.8 -64.76 0.72 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.647 HD23 ' H ' ' A' ' 135' ' ' LEU . 0.2 OUTLIER -33.2 -37.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 133' ' ' PRO . . . -44.56 -54.18 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.459 ' NE ' ' CD2' ' A' ' 70' ' ' PHE . 46.2 ptt85 -134.98 44.67 2.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.401 ' HB3' ' C ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -107.83 168.08 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -143.16 -38.96 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.473 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -138.09 148.06 44.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.781 0.324 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 142' ' ' VAL . 0.8 OUTLIER -86.5 -40.54 15.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 143' ' ' ALA . 89.4 t -36.57 -39.36 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 142' ' ' VAL . . . -34.22 148.12 0.1 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.578 0.704 . . . . 0.0 111.101 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 134.06 26.94 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.639 2.226 . . . . 0.0 112.346 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 168.85 20.28 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.713 2.275 . . . . 0.0 112.336 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.99 46.71 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.714 2.276 . . . . 0.0 112.356 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -157.81 153.35 22.39 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.686 0.755 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -161.63 0.08 OUTLIER 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.69 2.26 . . . . 0.0 112.361 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 168.37 -98.79 0.14 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -52.92 151.74 4.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.742 0.306 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -160.86 163.83 31.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 10.5 tt -64.49 123.13 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.412 ' CG ' ' N ' ' A' ' 154' ' ' SER . 38.5 t80 -172.1 169.49 5.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.412 ' N ' ' CG ' ' A' ' 153' ' ' PHE . 28.7 t -62.17 135.46 57.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.864 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -136.67 91.6 0.22 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 114.38 3.68 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.239 . . . . 0.0 112.393 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 15.6 m -102.01 94.97 6.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 25.2 p -95.18 82.97 3.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.809 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.469 179.969 . . . . . . . . 0 0 . 1 stop_ save_