data_2fyh_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 2fyh _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 ' 1' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 47' ' ' GLY . 3.0 tpt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.622 0.248 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.434 ' CB ' ' O ' ' A' ' 165' ' ' SER . 11.6 ttp180 -72.56 66.25 0.7 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.761 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.97 155.0 32.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 4' ' ' PHE . 17.8 p90 -175.03 128.56 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.851 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.457 ' CD1' ' HB3' ' A' ' 44' ' ' LYS . 16.6 pt -87.36 132.25 33.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -130.8 170.89 13.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.452 ' CG2' HG23 ' A' ' 157' ' ' VAL . 41.5 mt -110.51 122.04 64.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.025 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -50.0 133.5 22.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.886 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.0 m -111.72 87.38 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 t -39.01 153.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 12' ' ' SER . 26.3 mt-10 -37.71 -50.1 1.18 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 11' ' ' GLU . 88.9 p -34.3 -44.99 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.79 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 16' ' ' ALA . 90.4 t -89.36 -62.84 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.119 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 13' ' ' VAL . 16.5 ttm180 -34.86 -58.82 0.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -38.18 83.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.774 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 13' ' ' VAL . . . -50.14 -67.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.8 mt -45.42 -41.58 9.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.995 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.4 t -59.31 -43.7 90.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.2 ttm-85 -53.26 -41.67 65.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.25 -46.77 69.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.675 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 59.0 mt-30 -55.69 -50.37 70.46 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -49.8 -42.41 46.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.786 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -67.89 -33.46 74.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.7 mt -71.91 -68.83 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.21 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.8 164.46 3.43 Favored Glycine 0 C--O 1.229 -0.167 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.32 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.2 p -109.9 43.49 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 110.758 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -64.35 -62.69 1.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -96.46 -47.01 6.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.438 ' HB3' ' CG2' ' A' ' 134' ' ' VAL . . . -89.82 142.96 27.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.967 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -96.29 104.57 16.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.8 mt -129.62 118.75 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.041 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -88.07 87.34 7.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.98 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.675 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 17.2 m-85 -59.24 164.1 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 35' ' ' GLU . 57.5 t -100.28 158.78 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.201 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.403 ' N ' HG12 ' A' ' 34' ' ' VAL . 8.6 mm-40 -50.4 159.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.082 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -69.73 -45.54 67.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -83.56 23.37 0.96 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -126.36 9.36 7.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -86.34 9.26 18.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.965 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -54.54 133.1 46.1 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.967 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.8 mt -69.72 120.37 17.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.35 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 84.0 m -71.95 105.55 3.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.5 tt -74.33 -53.1 10.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.987 0.422 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.462 ' HE2' ' CD1' ' A' ' 111' ' ' LEU . 21.6 tptt -144.87 121.19 10.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -84.07 129.57 34.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.818 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.447 ' CD2' HD12 ' A' ' 111' ' ' LEU . 14.8 mt -108.04 -48.86 3.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.799 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 83.97 -137.35 15.93 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.35 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.426 ' CD ' ' N ' ' A' ' 49' ' ' ILE . 3.4 tm-20 -65.29 140.49 58.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.077 0.465 . . . . 0.0 110.814 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.426 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 12.9 mt -155.5 158.52 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.073 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.6 p -98.42 148.58 23.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.108 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -52.33 -23.88 6.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.082 0.468 . . . . 0.0 111.117 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -81.42 -39.39 25.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.666 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -75.68 -33.09 60.36 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.801 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -42.63 -34.34 0.87 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.136 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -75.33 -38.45 60.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.877 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -54.21 -57.71 10.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.406 ' H ' ' CD1' ' A' ' 57' ' ' ILE . 4.0 mp -45.38 -45.93 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.201 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.452 ' HE3' ' CB ' ' A' ' 178' ' ' ALA . 60.6 mttp -53.14 -55.55 23.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.193 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 59' ' ' LYS . 2.7 mptp? -45.62 -54.76 7.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.859 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.8 mt -51.59 -48.12 36.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.225 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.411 HD11 ' CE1' ' A' ' 180' ' ' PHE . 26.7 mt -58.78 -47.78 83.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.073 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -52.68 -32.69 43.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.849 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -84.53 -60.29 2.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.43 HD13 ' CG1' ' A' ' 107' ' ' ILE . 61.5 mt -48.85 -60.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.088 0.471 . . . . 0.0 111.195 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.22 -13.38 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.053 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -96.57 -22.31 17.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.43 ' HG3' ' CD1' ' A' ' 68' ' ' TYR . 15.3 ptpt -90.28 -16.36 29.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.73 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.547 ' CE2' HG13 ' A' ' 103' ' ' ILE . 52.7 m-85 -103.1 168.7 9.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -112.33 -174.93 2.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.444 ' CG ' ' HA ' ' A' ' 158' ' ' GLU . 8.3 mptt -107.32 98.45 8.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.707 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -86.81 161.7 18.21 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.998 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -109.05 102.05 11.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 33.3 m -105.47 179.6 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.033 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -137.56 148.8 46.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.802 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.1 p -106.42 112.71 40.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.072 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.417 ' NE ' ' OE2' ' A' ' 95' ' ' GLU . 0.6 OUTLIER -156.88 152.59 26.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.1 139.99 5.53 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.633 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.405 HG21 ' N ' ' A' ' 79' ' ' GLY . 45.0 mt -134.24 134.67 55.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 0.0 111.068 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.463 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -115.01 156.61 15.55 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.618 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.6 m -126.48 161.28 32.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.75 0.309 . . . . 0.0 111.27 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.704 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 13.1 m-85 -143.55 154.04 59.33 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.775 0.798 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.0 Cg_endo -69.57 -25.3 8.01 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.341 -0.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -159.59 158.63 27.73 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.694 0.759 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -47.63 -61.74 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.648 2.232 . . . . 0.0 112.483 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -41.2 -33.97 0.42 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.758 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -134.51 88.32 2.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.2 t -85.28 125.4 40.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -123.47 -28.73 3.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 98.2 t -137.43 116.48 14.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.983 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 74.0 mt -88.37 132.11 34.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.068 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.704 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 43.0 p-90 -149.06 140.98 23.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.79 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.08 162.94 15.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.78 142.74 14.49 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.55 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 92.3 t -97.9 148.34 5.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.826 0.346 . . . . 0.0 111.272 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 96' ' ' ASN . 13.6 mm-40 -70.83 -176.7 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.468 ' C ' ' O ' ' A' ' 95' ' ' GLU . 3.4 t30 -32.3 94.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 95' ' ' GLU . 9.9 p-10 -114.35 36.99 3.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.806 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.402 ' CG ' ' H ' ' A' ' 99' ' ' ILE . 8.5 pt-20 -47.02 -55.2 8.61 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.402 ' H ' ' CG ' ' A' ' 98' ' ' GLU . 18.8 mm -49.98 -45.86 22.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 76.4 mt -72.44 -16.16 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.187 0.517 . . . . 0.0 111.195 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.52 ' HA ' ' CD2' ' A' ' 122' ' ' PHE . 0.6 OUTLIER -81.38 -57.45 3.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.935 179.745 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 101' ' ' LYS . 12.3 ptpt -56.87 -29.6 63.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.547 HG13 ' CE2' ' A' ' 68' ' ' TYR . 62.8 mt -72.79 -51.17 28.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.268 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.58 -38.06 59.25 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -38.61 66.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -65.0 -42.18 94.73 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.774 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.43 ' CG1' HD13 ' A' ' 64' ' ' ILE . 43.4 mt -62.81 -38.95 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 111.156 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 111' ' ' LEU . 33.5 t0 -74.17 -55.71 5.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 108' ' ' ASP . 0.4 OUTLIER -35.29 -41.69 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.814 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -75.07 -43.91 50.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.063 0.459 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.462 ' CD1' ' HE2' ' A' ' 44' ' ' LYS . 51.7 mt -56.18 -25.05 45.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -53.16 -34.15 55.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.98 0.419 . . . . 0.0 111.232 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -72.17 -48.35 43.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.23 -8.07 5.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.047 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 100.85 56.42 0.9 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.487 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -130.83 167.0 19.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.981 0.42 . . . . 0.0 110.792 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -82.17 147.22 29.14 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.953 0.406 . . . . 0.0 110.956 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.487 ' HD3' ' N ' ' A' ' 119' ' ' GLU . 0.5 OUTLIER -100.4 125.4 46.66 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.975 179.758 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.487 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 52.3 mt-10 -99.89 95.92 7.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -51.54 -63.68 4.49 Favored Glycine 0 C--O 1.229 -0.201 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.474 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -100.07 119.57 38.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.923 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.52 ' CD2' ' HA ' ' A' ' 101' ' ' LYS . 19.2 t80 -96.55 137.21 35.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.5 t -131.28 118.52 40.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -81.93 99.94 9.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -137.96 160.22 39.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.403 ' CD1' ' N ' ' A' ' 126' ' ' ILE . 2.0 mp -134.49 104.81 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.012 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 54.3 m -62.13 121.25 12.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.394 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 73.6 mt -85.72 -37.02 19.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.886 0.374 . . . . 0.0 110.748 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 173.41 164.19 28.26 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.485 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 77.6 mtt-85 -104.16 144.66 31.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 111.003 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 95.1 t -93.21 123.5 45.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.064 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -91.56 -58.2 2.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.827 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -156.13 138.64 14.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.438 ' CG2' ' HB3' ' A' ' 29' ' ' ALA . 1.9 p -138.72 153.0 25.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.126 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.404 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 75.7 tttt -109.21 -43.12 4.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.941 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -84.78 119.22 25.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.67 -57.91 2.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 47.3 mt -39.08 -56.81 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.001 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -40.08 -51.73 3.45 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.735 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 46.0 mt -46.71 -64.78 0.68 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.806 0.336 . . . . 0.0 110.743 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -60.23 -57.66 11.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.415 ' C ' ' O ' ' A' ' 141' ' ' ALA . 7.3 mmt -36.91 -37.1 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.983 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 146' ' ' GLU . 21.1 mtmt -83.35 -53.3 5.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 63.1 mt -40.9 -34.49 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.009 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.89 -36.82 49.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.838 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 143' ' ' LYS . 73.6 mt-10 -70.78 -48.89 51.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.663 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.441 ' N ' HD13 ' A' ' 147' ' ' LEU . 2.9 mp -86.48 14.92 6.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.864 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.79 -27.48 28.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.202 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -120.32 -16.1 8.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.666 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -46.86 111.49 0.4 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.811 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -69.72 137.52 52.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -102.12 -35.37 8.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 139.92 -177.12 20.79 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.483 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 30.1 p -138.25 169.4 17.85 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.799 0.333 . . . . 0.0 110.79 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . 0.416 ' CD1' HG21 ' A' ' 13' ' ' VAL . 55.1 p90 -173.93 176.45 2.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.035 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.425 ' CG2' ' HB3' ' A' ' 70' ' ' LYS . 70.6 mt -118.55 130.8 72.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.452 HG23 ' CG2' ' A' ' 7' ' ' ILE . 99.3 t -84.57 96.72 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.444 ' HA ' ' CG ' ' A' ' 70' ' ' LYS . 12.5 mt-10 -100.11 -68.46 0.81 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -90.36 161.61 15.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.079 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 84.2 mt -119.69 148.76 22.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -127.82 127.11 42.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.734 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 12.4 tp -108.27 115.87 30.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.805 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -113.96 162.21 16.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.472 ' CE ' ' HG2' ' A' ' 175' ' ' GLU . 0.2 OUTLIER -122.32 145.3 48.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.828 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' A' ' 2' ' ' ARG . 11.3 t -124.76 133.98 52.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.657 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 27.2 m -146.12 106.94 4.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.221 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.422 ' C ' HG21 ' A' ' 168' ' ' THR . 13.2 mt -75.43 134.78 40.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.029 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' THR . . . . . 0.422 HG21 ' C ' ' A' ' 167' ' ' LEU . 21.6 p -139.7 155.45 71.45 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 121.698 0.761 . . . . 0.0 111.161 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -48.1 -32.02 17.72 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.478 2.119 . . . . 0.0 112.541 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -80.04 -23.96 41.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 146.98 172.86 17.67 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.467 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.63 131.9 22.4 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.734 2.289 . . . . 0.0 112.36 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 46.3 mm -109.02 143.43 19.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -137.78 121.29 17.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.472 ' HG2' ' CE ' ' A' ' 164' ' ' LYS . 10.9 pt-20 -138.08 143.28 40.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.782 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 6.4 m -79.96 143.41 34.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 67.5 mt -116.67 -41.34 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.452 ' CB ' ' HE3' ' A' ' 58' ' ' LYS . . . -143.46 142.36 31.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.198 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -145.03 108.43 4.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.043 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . 0.411 ' CE1' HD11 ' A' ' 61' ' ' LEU . 4.7 m-85 -99.34 97.63 8.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.843 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 121.119 0.485 . . . . 0.0 110.837 -179.934 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ptt? . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.605 0.241 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -83.03 75.98 9.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.16 155.02 40.7 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.158 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 4' ' ' PHE . 28.7 p90 -171.93 132.32 0.69 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.939 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 44' ' ' LYS . 39.0 pt -90.26 142.44 12.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.404 ' CB ' ' HB2' ' A' ' 40' ' ' HIS . . . -139.86 168.53 19.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.167 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.1 mt -105.33 128.16 59.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.082 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -58.83 122.36 13.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.773 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.459 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 35.3 m -104.78 90.93 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.237 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.5 t -39.46 160.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.973 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -45.45 -39.14 6.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.009 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.3 t -39.06 -45.77 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.415 ' O ' ' C ' ' A' ' 14' ' ' ARG . 70.3 t -78.89 -61.06 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' VAL . 68.9 mtt180 -36.4 -65.29 0.28 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -47.53 -43.54 25.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.751 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.67 -55.34 36.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.43 -50.87 71.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.6 t -53.47 -41.36 44.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.059 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -48.46 -45.4 36.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.703 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.71 -48.71 76.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.601 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 46.9 mt-30 -45.8 -57.7 4.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.792 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -41.7 -43.37 2.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.901 0.381 . . . . 0.0 111.099 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -73.17 -45.53 56.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.014 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.4 mt -53.33 -55.68 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.77 168.81 1.35 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.612 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.5 m -132.77 48.77 2.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.072 0.463 . . . . 0.0 110.827 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -84.99 -60.49 2.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.932 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -75.49 -48.66 21.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.982 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.453 ' HB2' ' CG2' ' A' ' 134' ' ' VAL . . . -97.52 155.31 17.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.509 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 2.2 tmtp? -104.49 84.93 2.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.2 mt -110.32 126.49 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.069 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -96.5 93.9 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.779 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.601 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 17.7 m-85 -61.35 176.08 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.008 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 42.0 t -122.21 154.96 27.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -45.44 165.95 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.719 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.0 mtm105 -76.61 -43.42 38.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.806 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -83.51 20.71 1.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.549 ' OD1' ' CD2' ' A' ' 174' ' ' TYR . 1.9 m-80 -117.84 -5.59 11.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.93 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -79.17 7.32 7.77 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.93 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.404 ' HB2' ' CB ' ' A' ' 6' ' ' ALA . 3.6 p-80 -43.08 110.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 64.9 mt -50.12 111.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.5 m -68.1 114.75 6.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.44 ' C ' HD21 ' A' ' 43' ' ' LEU . 5.4 tt -86.12 -56.28 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -136.01 115.65 12.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -85.57 126.08 33.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.407 ' CD2' HD12 ' A' ' 111' ' ' LEU . 26.4 mt -100.55 -66.04 0.93 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.09 -127.88 9.39 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.622 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -65.5 125.1 24.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.955 0.407 . . . . 0.0 110.962 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.44 HG21 ' N ' ' A' ' 50' ' ' THR . 18.3 mt -150.83 147.06 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.982 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' GLU . 28.0 p -96.3 131.74 42.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.144 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -42.67 -23.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.805 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 50' ' ' THR . 7.4 pt-20 -79.44 -43.75 22.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.99 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.429 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 8.5 mm-40 -79.08 -20.26 49.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.066 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.17 -54.81 26.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -44.84 -36.55 3.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.454 ' OE1' ' C ' ' A' ' 56' ' ' GLU . 0.9 OUTLIER -59.13 -60.19 4.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.0 -179.836 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.401 ' H ' ' CD1' ' A' ' 57' ' ' ILE . 3.9 mp -44.29 -58.48 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.097 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 59' ' ' LYS . 48.5 mttt -40.62 -63.45 0.64 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' LYS . 6.6 mmpt? -37.03 -58.1 0.8 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.777 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.7 mt -45.43 -44.74 3.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.27 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.7 mt -65.06 -35.67 81.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.97 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -57.1 -44.62 83.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.688 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -73.99 -60.35 2.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.47 ' HA ' ' CD ' ' A' ' 67' ' ' LYS . 96.7 mt -48.76 -54.29 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.94 -13.26 1.03 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' A' ' 66' ' ' LYS . 0.8 OUTLIER -102.69 -39.48 7.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.47 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 8.9 ptmt -67.56 -20.58 65.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.947 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -101.94 158.45 16.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -102.44 173.61 6.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -97.42 101.27 12.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.983 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.453 ' CB ' HG13 ' A' ' 99' ' ' ILE . 73.7 t60 -97.03 165.35 12.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -108.73 106.41 16.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.788 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.7 m -102.94 170.42 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.118 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -116.59 161.04 19.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.772 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.0 p -128.25 110.42 21.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.048 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 18.3 ttt180 -159.04 146.71 17.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.955 0.407 . . . . 0.0 111.018 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.415 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 105.72 148.71 17.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.321 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 22.4 mt -142.46 131.92 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.347 . . . . 0.0 111.198 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -117.04 158.81 14.3 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.461 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.456 ' CG1' HD22 ' A' ' 144' ' ' LEU . 32.7 m -128.25 149.27 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.02 0.438 . . . . 0.0 111.052 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.58 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 10.5 m-85 -132.15 147.94 67.81 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.846 0.831 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 53.8 Cg_endo -69.8 -36.32 2.38 Favored 'Cis proline' 0 C--N 1.343 0.275 0 C-N-CA 122.773 -1.761 . . . . 0.0 112.299 -0.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.46 159.56 32.47 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.723 0.773 . . . . 0.0 110.806 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -47.88 -53.96 5.87 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.606 2.204 . . . . 0.0 112.436 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -40.74 -42.24 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -133.44 80.57 1.88 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.06 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.8 t -71.46 132.27 33.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 20.4 mmm-85 -124.03 -42.41 2.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 71.9 t -129.88 125.24 60.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.287 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 57.2 mt -90.98 126.55 43.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.092 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.58 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 50.8 p-90 -140.91 140.59 34.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.009 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.69 166.63 12.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.003 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -127.31 152.54 18.78 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.658 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.461 HG11 ' N ' ' A' ' 95' ' ' GLU . 94.9 t -104.52 148.75 8.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.965 0.412 . . . . 0.0 111.201 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.477 ' O ' ' C ' ' A' ' 96' ' ' ASN . 68.8 mm-40 -71.34 -176.66 1.55 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.98 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.477 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.6 OUTLIER -32.02 95.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.969 0.414 . . . . 0.0 111.033 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 95' ' ' GLU . 1.2 p30 -109.26 37.18 2.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -38.04 -64.92 0.37 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.453 HG13 ' CB ' ' A' ' 71' ' ' HIS . 47.3 mm -43.82 -70.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.07 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 90.2 mt -45.12 -35.99 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -32.3 70.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.198 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 99' ' ' ILE . 1.4 mtpm? -69.29 -33.91 73.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.733 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 65.4 mt -75.89 -38.95 37.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.069 0.461 . . . . 0.0 111.238 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.46 -41.67 73.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 106' ' ' GLU . 14.5 pttp -78.01 -35.32 50.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.981 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 105' ' ' LYS . 3.2 tp10 -64.86 -42.09 95.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 55.6 mt -64.46 -39.93 87.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -71.23 -42.06 69.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -42.5 -28.86 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -95.05 -48.21 6.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.064 0.459 . . . . 0.0 110.911 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 114' ' ' LEU . 72.2 mt -52.0 -45.31 64.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.198 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 111' ' ' LEU . . . -37.77 -38.18 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.26 -43.15 82.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.046 0.45 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 111' ' ' LEU . 29.4 mt -66.65 -10.72 49.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 99.83 54.73 1.03 Allowed Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.279 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -121.96 151.69 40.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.962 0.411 . . . . 0.0 110.767 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 29.5 tttp -72.21 139.93 48.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -113.44 129.08 56.63 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -98.51 122.62 41.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.752 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -46.37 -69.08 0.9 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.565 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -98.98 139.15 35.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.897 0.379 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -97.73 135.52 39.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 73.4 t -134.62 116.84 22.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -84.92 104.78 15.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -133.05 169.1 17.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.436 HD11 ' N ' ' A' ' 126' ' ' ILE . 3.0 mp -139.95 114.57 7.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.173 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 79.7 m -68.59 112.18 5.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.058 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 49.5 mt -78.19 -39.22 41.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 178.08 176.45 46.06 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.553 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -118.35 146.37 44.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.996 0.427 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 90.1 t -95.68 122.92 47.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.265 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.1 -58.22 2.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.94 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.509 ' CE2' ' HG3' ' A' ' 30' ' ' LYS . 9.8 p90 -151.72 136.45 17.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.453 ' CG2' ' HB2' ' A' ' 29' ' ' ALA . 3.6 p -138.1 151.58 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.323 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -106.7 -47.45 3.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -76.71 105.09 7.57 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -70.8 -63.33 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.969 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 39.4 mt -44.69 -45.55 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.954 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -44.21 -41.6 6.45 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 69.8 mt -55.21 -62.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.92 0.391 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.41 -56.36 22.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.024 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.1 mmt -44.71 -36.25 3.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.765 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -72.72 -58.62 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.456 HD22 ' CG1' ' A' ' 80' ' ' VAL . 63.3 mt -38.73 -54.6 1.57 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.769 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -49.11 -45.52 43.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.924 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -62.27 -39.34 92.58 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.6 mp -105.12 36.66 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.812 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -98.04 -35.44 10.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 150' ' ' GLU . 3.1 m120 -110.61 -26.44 9.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.799 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 149' ' ' ASN . 6.0 tm-20 -37.5 112.86 0.23 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.042 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -71.98 163.96 26.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -124.04 -36.06 2.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.774 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 136.18 -160.02 24.54 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.63 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 80.1 p -143.26 174.87 10.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 110.897 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -173.46 164.37 4.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.819 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 51.1 mt -114.35 127.51 71.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.225 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 86.6 t -74.19 96.48 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -93.18 -69.83 0.73 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -100.13 160.16 14.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 161' ' ' GLU . 57.8 mt -115.29 141.88 30.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.467 ' N ' HG22 ' A' ' 160' ' ' ILE . 0.0 OUTLIER -120.81 138.44 54.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . 0.418 ' N ' ' OE1' ' A' ' 161' ' ' GLU . 14.3 tp -120.06 115.6 24.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.976 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -114.77 159.76 20.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.848 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.445 ' HB3' ' CD1' ' A' ' 177' ' ' LEU . 17.7 pttt -128.67 148.57 50.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.013 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 7.5 m -116.4 126.93 54.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.754 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 99.6 m -131.71 97.29 4.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.291 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 11.7 mt -66.29 133.29 50.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.996 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 33.5 p -136.2 155.88 77.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 121.665 0.745 . . . . 0.0 111.381 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -48.08 -32.84 19.47 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.562 2.175 . . . . 0.0 112.334 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -80.36 -28.74 37.96 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 153.78 173.88 23.38 Favored Glycine 0 C--N 1.329 0.148 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.53 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.45 126.68 13.81 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.593 2.195 . . . . 0.0 112.296 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 14.6 mm -98.31 132.23 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.306 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . 0.549 ' CD2' ' OD1' ' A' ' 38' ' ' ASN . 3.7 m-85 -127.2 130.26 49.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.762 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -160.78 162.88 32.52 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 15.8 m -90.47 153.09 20.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.258 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 164' ' ' LYS . 35.6 mt -120.49 -43.9 2.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -135.69 135.2 39.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.002 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -133.51 109.44 9.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -112.1 98.82 7.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.973 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.845 -179.837 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 47' ' ' GLY . 4.1 ptt? . . . . . 0 C--O 1.235 0.319 0 CA-C-O 120.689 0.28 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -84.42 81.94 8.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.979 0.419 . . . . 0.0 110.879 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.86 140.82 38.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.214 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -163.69 128.44 2.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.958 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.468 ' CG1' ' HB3' ' A' ' 44' ' ' LYS . 38.1 pt -85.3 131.6 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.107 0.48 . . . . 0.0 111.062 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -127.7 165.98 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 76.2 mt -106.32 127.46 61.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.993 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -56.57 127.23 30.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.784 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 10' ' ' SER . 2.6 m -105.38 90.14 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.113 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 9' ' ' VAL . 17.7 m -37.78 154.72 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.693 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -45.36 -39.11 6.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.656 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 t -41.9 -37.12 1.22 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 16' ' ' ALA . 42.5 t -88.91 -59.83 2.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 13' ' ' VAL . 58.3 mtt180 -36.65 -57.82 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -56.86 -34.74 68.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.025 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 13' ' ' VAL . . . -60.64 -58.82 6.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.002 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.4 mt -55.51 -49.43 72.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.006 0.431 . . . . 0.0 111.051 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.2 t -55.15 -38.94 48.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.972 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -52.42 -43.38 64.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.18 -48.0 59.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.476 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 47.4 mt-30 -46.4 -59.26 3.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.003 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -42.27 -43.49 3.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.988 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -69.88 -35.96 75.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.809 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.87 -58.34 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.16 145.43 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.446 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.7 p -112.31 48.09 1.02 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.839 0.352 . . . . 0.0 110.944 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -87.99 -58.29 2.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.942 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.88 -50.89 11.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.814 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.92 155.02 17.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.441 ' HD2' ' C ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -105.01 110.27 22.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.7 mt -132.99 129.45 57.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.17 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -93.08 85.96 5.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.866 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.476 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 17.8 m-85 -56.01 166.4 0.78 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.515 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 27.5 t -111.76 146.08 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.226 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -40.16 160.41 0.01 OUTLIER 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.082 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.471 ' HD2' ' N ' ' A' ' 36' ' ' ARG . 6.3 mpt_? -69.42 -45.64 68.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.05 17.9 1.48 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.733 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.42 ' CB ' HG12 ' A' ' 34' ' ' VAL . 2.2 m-80 -121.05 16.33 11.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.515 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 20.0 m-85 -96.33 8.24 44.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.942 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -50.32 128.19 19.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.6 mt -65.9 115.41 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.283 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.8 m -66.78 100.09 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.224 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.419 ' C ' HD23 ' A' ' 43' ' ' LEU . 4.0 tt -68.69 -53.63 21.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.951 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.468 ' HB3' ' CG1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -137.49 122.13 18.58 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -94.76 120.94 35.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.5 mt -103.19 -60.97 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.956 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 102.32 -124.82 8.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.332 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -69.2 130.48 42.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.839 0.352 . . . . 0.0 110.896 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.9 mt -155.62 143.01 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.098 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.6 p -93.34 146.54 23.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -52.13 -30.08 24.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -69.41 -34.24 74.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -88.03 -27.09 22.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.52 -59.83 3.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.064 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -46.27 -25.52 0.64 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.412 ' CD ' HD23 ' A' ' 114' ' ' LEU . 3.5 tt0 -72.21 -55.7 6.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.957 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.427 HG13 ' CD2' ' A' ' 111' ' ' LEU . 2.9 mp -47.72 -60.13 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -39.02 -64.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.9 mtmm -38.65 -58.82 1.0 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.797 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.9 mt -41.41 -50.66 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.007 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.2 mt -59.87 -50.33 74.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.028 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -40.43 -36.98 0.62 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.72 -53.16 5.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.062 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.0 mt -50.07 -55.51 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.389 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.45 -7.56 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.05 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -101.7 -37.51 8.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.988 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -82.79 -6.38 59.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.017 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.637 ' CD2' ' CG1' ' A' ' 103' ' ' ILE . 26.3 m-85 -110.48 160.89 16.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.811 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.92 170.43 7.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.795 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -113.52 111.33 21.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.06 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -99.96 176.71 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.015 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -108.24 98.07 7.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.106 0.479 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.3 m -96.52 177.94 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.018 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.407 ' CG ' ' HB3' ' A' ' 154' ' ' SER . 3.4 m120 -125.53 167.0 15.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.7 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.2 p -127.55 96.84 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.012 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -147.54 158.73 44.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.8 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.16 137.96 8.93 Favored Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.442 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.7 mt -139.35 137.77 40.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.06 0.457 . . . . 0.0 111.149 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.527 ' HA3' ' CZ2' ' A' ' 91' ' ' TRP . . . -123.13 162.75 16.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.392 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.3 m -132.02 155.79 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 111.143 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.51 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 11.9 m-85 -141.18 155.59 68.14 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.618 0.723 . . . . 0.0 110.947 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 52.8 Cg_endo -69.88 -22.19 9.88 Favored 'Cis proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.542 -1.857 . . . . 0.0 112.507 0.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.4 ' CG ' ' C ' ' A' ' 82' ' ' PRO . 0.6 OUTLIER -160.36 159.21 26.3 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.432 0.634 . . . . 0.0 111.114 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -47.95 -62.96 0.36 Allowed 'Trans proline' 0 C--O 1.23 0.081 0 C-N-CA 122.78 2.32 . . . . 0.0 112.328 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -45.03 -33.66 2.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -128.17 92.03 3.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.731 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.3 t -86.02 130.85 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.172 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -128.4 -43.49 1.44 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.3 t -129.61 117.36 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.072 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 86.0 mt -88.09 128.41 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.055 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.527 ' CZ2' ' HA3' ' A' ' 79' ' ' GLY . 61.3 p-90 -140.6 147.99 40.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.021 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -97.88 166.89 11.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -125.81 154.91 18.88 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.506 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.412 HG11 ' N ' ' A' ' 95' ' ' GLU . 71.8 t -107.93 147.38 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 111.17 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.491 ' O ' ' C ' ' A' ' 96' ' ' ASN . 9.8 mt-10 -70.85 -176.35 1.32 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.491 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.8 p30 -29.14 94.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.008 0.432 . . . . 0.0 110.884 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 95' ' ' GLU . 1.0 OUTLIER -104.02 48.86 0.83 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.823 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -51.98 -57.32 9.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 29.7 mm -55.41 -63.05 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.169 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.2 mt -48.85 -19.51 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -85.09 -67.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.39 -20.25 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.926 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.637 ' CG1' ' CD2' ' A' ' 68' ' ' TYR . 60.8 mt -89.51 -42.88 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.39 -31.86 68.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.945 0.403 . . . . 0.0 111.053 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -74.32 -48.08 30.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -62.12 -41.58 98.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 62.1 mt -55.67 -40.01 58.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -80.26 -40.56 26.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -50.61 -27.99 7.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -89.35 -37.29 14.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.44 HD22 ' CD1' ' A' ' 114' ' ' LEU . 57.7 mt -68.73 -28.89 67.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.22 -31.74 6.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.062 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -76.69 -34.63 58.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.936 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.44 ' CD1' HD22 ' A' ' 111' ' ' LEU . 58.2 mt -69.41 -27.35 65.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.977 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 126.49 49.62 0.18 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.481 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -131.97 -176.74 4.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -130.36 144.59 51.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.742 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -113.11 128.35 56.46 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.787 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -99.83 99.55 10.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.976 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -38.67 -46.54 2.18 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.397 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -80.44 92.1 5.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -95.83 137.03 35.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 87.9 t -137.34 112.67 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.224 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.93 105.25 7.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.105 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . 0.4 ' C ' HD11 ' A' ' 126' ' ' ILE . 9.2 p-80 -136.75 164.29 28.62 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.483 HD11 ' N ' ' A' ' 126' ' ' ILE . 2.5 mp -134.93 105.14 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 69.6 m -59.94 115.13 3.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 40.7 mt -79.15 -33.39 44.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 170.71 179.31 41.94 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.351 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -121.17 144.96 48.3 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.952 0.406 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 69.8 t -92.31 130.69 41.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.245 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -99.44 -54.35 2.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.797 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.482 ' O ' ' CD1' ' A' ' 133' ' ' PHE . 6.9 p90 -153.57 133.37 13.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.79 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.459 ' CG2' ' N ' ' A' ' 135' ' ' LYS . 2.3 p -133.0 157.56 43.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.047 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.459 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 9.0 mtpm? -118.92 -41.47 2.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.993 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -78.45 97.27 5.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.69 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -63.17 -66.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 32.4 mt -43.82 -51.45 7.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.019 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -41.3 -48.28 4.56 Favored Glycine 0 CA--C 1.517 0.164 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.275 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 84.8 mt -43.92 -60.78 1.68 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.712 0.291 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -68.38 -57.74 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.187 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 10.7 mmt -40.37 -39.04 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.765 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 146' ' ' GLU . 15.6 ttmt -69.51 -57.36 5.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 61.1 mt -40.05 -49.57 2.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -51.17 -38.53 52.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.016 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 143' ' ' LYS . 10.2 mm-40 -71.77 -33.86 68.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.003 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 3.3 mp -107.22 37.49 2.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.027 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -106.93 -33.71 7.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.243 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -113.26 -16.52 12.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.708 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -50.54 111.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.841 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.63 153.07 42.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.792 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -113.82 -35.46 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 139.93 -164.16 26.15 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.593 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.407 ' HB3' ' CG ' ' A' ' 74' ' ' ASN . 54.1 p -143.58 172.25 13.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.599 0.238 . . . . 0.0 111.009 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -173.43 172.83 3.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.97 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 34.1 mt -116.62 131.43 69.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.1 0.476 . . . . 0.0 111.126 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 54.8 t -87.6 92.66 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.192 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -96.86 -70.51 0.71 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.935 0.398 . . . . 0.0 111.046 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 180' ' ' PHE . . . -88.54 178.36 6.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.995 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 161' ' ' GLU . 92.5 mt -132.08 156.72 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.441 ' N ' HG22 ' A' ' 160' ' ' ILE . 47.6 tt0 -137.31 117.47 13.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.779 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 28.3 tp -100.24 128.08 46.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -121.17 160.1 24.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.008 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -125.26 129.46 50.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.955 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.425 ' OG ' ' CZ ' ' A' ' 174' ' ' TYR . 1.6 m -105.46 128.9 53.8 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 85.2 m -134.13 99.93 4.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.261 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.44 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 25.1 mt -70.26 133.19 46.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 36.4 p -137.87 157.06 73.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.486 0.66 . . . . 0.0 111.235 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -48.1 -31.77 17.13 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.549 2.166 . . . . 0.0 112.368 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -80.47 -24.58 39.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 148.59 173.39 19.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.588 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . 0.44 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 52.8 Cg_endo -69.85 126.49 13.31 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.611 2.207 . . . . 0.0 112.231 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 14.0 mm -99.62 139.52 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.181 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . 0.425 ' CZ ' ' OG ' ' A' ' 165' ' ' SER . 5.1 m-85 -133.92 121.22 21.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -146.54 140.61 26.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.686 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 11.9 m -71.98 153.96 41.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.239 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 39.7 mt -117.05 -44.72 2.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.484 ' HB1' ' CZ ' ' A' ' 180' ' ' PHE . . . -142.15 134.67 28.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.164 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' ARG . . . . . 0.426 ' NH1' ' HB3' ' A' ' 179' ' ' ARG . 11.8 mtp-105 -122.19 108.2 13.03 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.789 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . 0.484 ' CZ ' ' HB1' ' A' ' 178' ' ' ALA . 30.3 m-85 -111.29 99.46 8.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.955 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 120.655 0.264 . . . . 0.0 110.755 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -95.5 95.88 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.947 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.437 ' CB ' HD13 ' A' ' 49' ' ' ILE . . . -94.29 151.27 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.177 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -157.1 141.56 16.59 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.5 pt -94.63 116.18 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.328 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -112.2 162.69 15.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.22 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.3 mt -106.04 125.3 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.162 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.82 126.24 19.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.862 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 10' ' ' SER . 3.5 m -105.94 86.06 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 9' ' ' VAL . 23.0 t -36.05 151.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.886 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -41.21 -43.6 2.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.949 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.8 p -39.65 -46.82 1.89 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.818 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.5 t -77.79 -54.59 12.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.174 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.1 mtt180 -41.79 -53.68 3.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -38.41 76.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.973 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.23 -67.41 0.38 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.319 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.6 mt -49.63 -42.38 44.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.737 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.3 t -60.73 -37.02 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.4 ttm-85 -55.16 -40.51 70.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.21 -47.7 70.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.244 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.499 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 51.3 mt-30 -50.78 -58.19 6.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.023 0.44 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -43.4 -32.15 0.8 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.772 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -84.43 -39.2 19.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.864 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 95.4 mt -53.25 -50.85 44.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.08 157.36 0.09 OUTLIER Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.397 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.6 p -126.32 41.41 3.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.021 0.439 . . . . 0.0 110.702 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -78.95 -61.48 2.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.062 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -77.59 -44.65 27.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.31 162.77 12.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.425 ' HG2' ' CE2' ' A' ' 133' ' ' PHE . 0.1 OUTLIER -119.85 92.2 3.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.811 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.9 mt -114.2 128.78 71.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.081 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HE3' ' C ' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -90.85 84.52 5.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.75 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.499 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 13.0 m-85 -56.27 179.1 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.955 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.586 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 61.6 t -120.07 149.71 22.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.181 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -44.65 163.63 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -71.46 -43.94 65.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -83.61 23.93 0.91 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.792 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.407 ' CB ' HG12 ' A' ' 34' ' ' VAL . 2.4 m-80 -128.04 13.1 6.73 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.586 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 38.1 m-85 -96.07 5.18 51.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.811 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -51.62 126.62 18.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.758 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 63.9 mt -57.31 123.08 7.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.313 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.1 m -76.56 88.84 3.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.983 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.405 ' C ' HD23 ' A' ' 43' ' ' LEU . 4.4 tt -45.86 -57.89 3.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -151.61 147.69 27.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.006 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -99.24 133.11 43.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.5 mt -103.9 -56.95 2.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.046 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.0 -135.32 12.12 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.414 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -67.77 130.11 41.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.876 0.37 . . . . 0.0 110.798 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.455 HG21 ' N ' ' A' ' 50' ' ' THR . 24.1 mt -145.27 146.71 19.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.234 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.455 ' N ' HG21 ' A' ' 49' ' ' ILE . 60.2 p -92.85 138.34 31.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.092 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -39.91 -36.78 0.49 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -70.93 -51.71 24.34 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.059 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -58.77 -36.56 74.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -37.45 -57.11 0.95 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.054 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.521 ' CG ' ' N ' ' A' ' 56' ' ' GLU . 4.6 pt-20 -50.14 -49.49 51.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.779 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.521 ' N ' ' CG ' ' A' ' 55' ' ' GLU . 11.0 tp10 -42.37 -63.94 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.8 mp -43.77 -58.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.047 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -42.42 -65.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.007 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -41.06 -61.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.3 mt -38.6 -49.05 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 48.2 mt -59.95 -53.19 60.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.944 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -39.72 -37.46 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -80.99 -56.42 4.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.062 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 67' ' ' LYS . 69.7 mt -54.89 -64.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -46.14 -20.61 0.11 Allowed 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -94.9 -29.21 14.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.703 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -74.98 -16.2 60.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.881 -179.847 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -105.91 160.76 15.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.758 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -102.85 -174.99 2.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.818 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.9 110.5 20.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.932 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.592 ' CD2' ' CG1' ' A' ' 99' ' ' ILE . 1.9 t60 -99.07 141.89 31.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.831 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -107.29 102.44 11.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.987 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.0 m -107.49 177.12 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.197 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 75' ' ' VAL . 32.3 t-20 -120.1 154.55 34.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.026 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.486 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 1.9 p -119.82 108.78 24.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.092 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.3 ttp85 -160.31 158.47 29.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.064 0.459 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.35 148.12 19.55 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.544 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.0 mt -141.79 145.21 24.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.868 0.366 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.548 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -123.03 171.91 15.8 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.42 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.8 m -139.8 164.39 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.783 0.325 . . . . 0.0 111.223 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.653 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 10.4 m-85 -149.81 154.31 37.26 Favored Pre-proline 0 C--O 1.234 0.28 0 CA-C-O 121.691 0.757 . . . . 0.0 110.696 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.1 Cg_endo -69.96 -20.16 11.11 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.552 -1.853 . . . . 0.0 112.389 0.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -163.38 160.33 18.09 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.461 0.648 . . . . 0.0 110.915 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -48.15 -58.0 2.01 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.601 2.201 . . . . 0.0 112.404 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -43.78 -35.47 1.9 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.067 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -134.5 101.53 5.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.001 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 87.8 t -91.94 131.55 38.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.206 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -128.72 -33.28 2.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.978 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.6 t -136.04 119.3 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 70.0 mt -87.77 128.32 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.653 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 23.5 p-90 -145.24 144.9 31.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.938 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.82 167.15 11.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.88 152.41 17.21 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.621 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.3 t -103.61 144.62 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.701 0.286 . . . . 0.0 111.179 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.538 ' O ' ' C ' ' A' ' 96' ' ' ASN . 7.8 mm-40 -73.21 -175.97 2.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.784 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.538 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.4 p30 -25.79 105.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.996 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.33 52.83 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -57.51 -54.99 40.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.784 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.592 ' CG1' ' CD2' ' A' ' 71' ' ' HIS . 29.0 mm -64.48 -64.41 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.992 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 94.0 mt -38.07 -33.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.185 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -69.82 -54.84 11.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.103 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -46.16 -50.86 15.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.8 mt -60.74 -45.27 98.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.073 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.96 -35.79 75.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -75.86 -41.75 51.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -64.19 -45.59 87.68 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.766 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 62.4 mt -56.87 -33.38 41.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.217 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.435 ' OD1' ' C ' ' A' ' 108' ' ' ASP . 15.5 t0 -80.96 -57.22 3.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 108' ' ' ASP . 0.8 OUTLIER -36.36 -44.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.026 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -69.28 -55.54 10.21 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 27.4 mt -48.28 -37.27 15.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.073 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -46.79 -33.54 4.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -30.14 57.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.928 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.475 ' CD2' ' HG2' ' A' ' 56' ' ' GLU . 70.5 mt -75.26 -27.35 59.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 126.52 44.3 0.25 Allowed Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.413 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -120.69 168.24 11.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.916 0.388 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -80.68 156.1 26.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.487 ' HD3' ' N ' ' A' ' 119' ' ' GLU . 0.6 OUTLIER -100.6 125.36 46.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.647 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.487 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 39.6 mt-10 -99.39 93.97 6.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.736 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -50.99 -62.45 5.33 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.367 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -99.74 135.15 41.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.99 0.424 . . . . 0.0 110.817 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -92.01 153.09 19.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 84.5 t -139.31 129.85 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -115.6 95.65 5.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.077 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . 0.417 ' CD2' ' C ' ' A' ' 125' ' ' HIS . 1.7 p-80 -138.54 167.61 21.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.732 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.514 HD11 ' N ' ' A' ' 126' ' ' ILE . 2.3 mp -135.11 103.75 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.001 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 50.7 m -60.54 110.41 1.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.026 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 47.0 mt -77.17 -42.12 38.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 179.49 -174.73 46.45 Favored Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.408 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -125.05 152.13 44.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.341 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 60.0 t -97.91 121.92 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.171 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -91.88 -59.11 2.2 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.425 ' CE2' ' HG2' ' A' ' 30' ' ' LYS . 24.8 p90 -150.38 135.43 17.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.015 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.3 p -138.6 150.78 23.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.366 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -110.03 -48.65 3.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -83.0 99.01 9.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 138' ' ' LEU . 36.5 mmtt -66.59 -61.23 2.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.801 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 137' ' ' LYS . 28.7 mt -35.5 -50.69 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.055 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -45.5 -49.92 10.97 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.813 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 23.5 mt -44.0 -58.59 2.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.702 0.287 . . . . 0.0 110.805 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 143' ' ' LYS . . . -67.05 -60.87 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.374 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 141' ' ' ALA . 5.6 mmt -38.21 -30.67 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 141' ' ' ALA . 1.3 ttmp? -79.29 -55.77 4.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.791 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 148' ' ' ALA . 73.8 mt -41.03 -51.64 3.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.058 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -51.88 -40.45 60.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.962 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -67.82 -46.82 70.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.776 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 6.7 mp -84.95 2.04 44.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 144' ' ' LEU . . . -70.92 -30.16 66.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 150' ' ' GLU . 73.1 m-20 -113.12 -27.08 8.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 149' ' ' ASN . 10.9 tp10 -37.18 107.04 0.05 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.21 158.46 35.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.753 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -121.45 -38.84 2.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . 0.403 ' O ' ' CG1' ' A' ' 75' ' ' VAL . . . 134.32 -169.69 22.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.486 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 25.4 p -134.18 164.86 26.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.977 0.418 . . . . 0.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -164.98 167.54 18.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.7 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 18.2 mt -112.51 123.31 68.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 64.2 t -83.41 97.44 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.066 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -99.08 -68.81 0.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.133 0.492 . . . . 0.0 110.796 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -83.13 173.34 11.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.126 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . 0.472 HG23 ' N ' ' A' ' 161' ' ' GLU . 70.4 mt -129.7 152.49 37.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.472 ' N ' HG23 ' A' ' 160' ' ' ILE . 8.8 tt0 -126.93 134.83 50.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 18.5 tp -123.38 118.12 26.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.931 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -121.45 163.76 18.25 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -109.91 174.31 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.776 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 30.0 t -147.8 117.64 7.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.779 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 89.6 m -129.9 98.35 4.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.148 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 13.3 mt -70.18 134.85 48.51 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.19 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' THR . . . . . 0.425 HG23 ' C ' ' A' ' 167' ' ' LEU . 30.4 p -139.48 154.63 71.72 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.487 0.66 . . . . 0.0 111.245 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -47.78 -33.19 18.61 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.845 2.364 . . . . 0.0 112.361 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -80.07 -27.28 39.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.727 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 152.34 169.84 18.17 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . 0.46 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 54.5 Cg_endo -69.75 131.88 22.16 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.515 2.143 . . . . 0.0 112.506 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 28.0 mm -103.87 134.89 43.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -125.09 135.73 52.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.784 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -158.43 138.85 12.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.67 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' THR . . . . . 0.415 HG22 ' CG ' ' A' ' 179' ' ' ARG . 7.2 m -71.76 147.05 47.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.096 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 28.1 mt -117.68 -39.47 3.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.044 0.449 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -146.54 137.48 24.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.108 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' ARG . . . . . 0.415 ' CG ' HG22 ' A' ' 176' ' ' THR . 32.2 mtm180 -136.08 108.87 7.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.049 0.452 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -109.59 99.84 8.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.764 -179.851 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptt? . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.634 0.254 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -82.96 74.25 9.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.5 147.56 33.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.234 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -161.13 138.56 9.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.933 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 21.4 pt -90.28 132.47 34.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.189 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.56 165.13 25.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.998 0.427 . . . . 0.0 110.96 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.454 ' CG2' HG22 ' A' ' 157' ' ' VAL . 84.5 mt -111.02 118.29 57.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.064 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -45.24 139.5 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.986 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.79 90.58 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.941 0.4 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -38.06 157.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.03 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 13' ' ' VAL . 44.1 mt-10 -47.9 -48.68 31.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.861 0.362 . . . . 0.0 110.804 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 11' ' ' GLU . 24.6 p -34.56 -34.84 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.906 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 11' ' ' GLU . 93.4 t -89.83 -58.43 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -38.82 -58.73 1.04 Allowed 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -49.48 -46.05 47.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.735 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.06 -66.16 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.1 mt -49.03 -50.98 33.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.118 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.5 t -59.94 -38.69 77.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.159 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 19' ' ' ARG . 4.6 mtp-105 -57.84 -32.42 67.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.831 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.33 -47.88 25.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.105 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.702 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 52.3 mt-30 -50.13 -56.0 12.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -42.38 -37.99 1.73 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.669 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -75.79 -31.73 59.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.05 0.452 . . . . 0.0 111.06 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' GLN . 83.6 mt -72.02 -52.19 26.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.029 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.48 169.07 0.13 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.594 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.2 p -125.07 50.91 1.71 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.875 0.369 . . . . 0.0 110.765 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.58 -62.46 1.64 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.751 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -79.31 -48.45 14.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.711 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.47 ' HB3' ' CG2' ' A' ' 134' ' ' VAL . . . -100.17 151.33 21.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.521 ' HG2' ' CZ ' ' A' ' 133' ' ' PHE . 9.5 tptm -105.96 87.54 2.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.803 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.7 mt -104.97 124.89 59.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.212 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -83.34 81.74 8.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.008 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.702 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 13.2 m-85 -58.48 172.3 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.599 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 62.1 t -109.39 147.63 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.278 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -50.74 176.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.084 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.548 ' HA ' ' CD2' ' A' ' 39' ' ' PHE . 40.6 mtt180 -84.34 -43.01 15.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.8 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -81.59 17.44 1.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.751 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -131.84 13.09 4.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.767 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.599 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 11.3 m-85 -85.65 5.69 30.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.845 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -52.98 149.94 6.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.796 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.1 mt -87.45 120.7 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.192 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.0 m -68.36 110.66 4.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.222 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.413 ' C ' HD21 ' A' ' 43' ' ' LEU . 4.4 tt -71.76 -46.28 58.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.493 ' CD ' HD22 ' A' ' 46' ' ' LEU . 6.2 tmtm? -162.4 114.45 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.079 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -70.76 132.67 45.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.82 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.493 HD22 ' CD ' ' A' ' 44' ' ' LYS . 16.1 mt -102.03 -61.2 1.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.03 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.43 -130.89 10.4 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.493 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -72.75 133.66 44.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.361 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.405 ' CD1' HD13 ' A' ' 46' ' ' LEU . 7.5 mt -152.37 144.59 15.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.9 p -95.08 147.13 23.75 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -50.81 -19.36 0.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.0 -33.37 39.37 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' GLU . 30.7 mm-40 -87.21 -34.19 19.07 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.02 -43.46 0.73 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -68.23 -40.67 81.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' GLN . 34.9 mm-40 -50.91 -38.38 49.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.6 mp -69.2 -53.76 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.065 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.464 ' CE ' ' HB3' ' A' ' 178' ' ' ALA . 41.1 mttp -47.61 -42.11 23.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -67.33 -64.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.697 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.6 mt -40.36 -45.55 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.113 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.8 mt -59.87 -45.89 91.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -48.47 -43.66 34.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.869 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -71.44 -44.94 63.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.017 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 66' ' ' LYS . 84.2 mt -66.22 -71.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -42.5 -23.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.013 0.435 . . . . 0.0 111.153 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 64' ' ' ILE . 18.1 ttpp -80.28 -50.73 9.81 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.765 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.57 ' HG3' ' CD1' ' A' ' 68' ' ' TYR . 5.5 ptpp? -60.69 -15.72 31.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.852 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.57 ' CD1' ' HG3' ' A' ' 67' ' ' LYS . 67.3 m-85 -104.91 173.11 6.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.172 0.51 . . . . 0.0 110.714 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -127.17 178.75 5.82 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 7.9 ptpt -90.18 113.43 25.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -96.3 152.98 18.08 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -99.44 100.33 11.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 31.1 m -108.9 172.8 2.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.132 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.46 ' CG ' ' N ' ' A' ' 75' ' ' VAL . 6.7 t-20 -122.84 167.19 13.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.001 0.429 . . . . 0.0 110.932 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.46 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 2.3 p -129.81 115.0 32.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.231 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -166.16 146.69 6.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.977 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.02 133.29 7.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.677 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 33.6 mt -126.64 141.4 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.907 0.384 . . . . 0.0 111.164 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -118.68 153.14 17.11 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.611 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.2 m -128.25 154.83 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.958 0.408 . . . . 0.0 111.227 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.525 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 12.5 m-85 -141.18 154.3 67.58 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.51 0.671 . . . . 0.0 111.075 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.3 Cg_endo -69.82 -23.62 9.02 Favored 'Cis proline' 0 C--N 1.34 0.121 0 C-N-CA 122.611 -1.829 . . . . 0.0 112.402 0.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.55 160.82 25.74 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.537 0.684 . . . . 0.0 110.947 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -47.68 -63.59 0.31 Allowed 'Trans proline' 0 N--CA 1.464 -0.21 0 C-N-CA 122.664 2.243 . . . . 0.0 112.445 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -41.06 -35.97 0.63 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -130.24 90.14 2.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.416 ' CG2' HD12 ' A' ' 144' ' ' LEU . 76.7 t -85.83 131.2 35.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.153 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -127.07 -39.42 1.93 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.024 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 53.1 t -130.13 115.91 34.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 82.4 mt -90.09 125.35 42.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.157 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.504 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 37.3 p-90 -138.94 145.96 40.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.973 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.58 163.07 13.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.14 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.49 143.17 14.55 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.623 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.456 HG11 ' N ' ' A' ' 95' ' ' GLU . 95.2 t -100.72 149.87 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.86 0.362 . . . . 0.0 111.179 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.544 ' O ' ' C ' ' A' ' 96' ' ' ASN . 18.4 mt-10 -71.28 -176.11 1.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.739 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.544 ' C ' ' O ' ' A' ' 95' ' ' GLU . 20.4 p-10 -26.12 115.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.089 0.471 . . . . 0.0 110.641 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 98' ' ' GLU . 12.2 m-20 -120.9 26.72 8.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.823 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 97' ' ' ASP . 7.2 mt-10 -36.71 -64.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.1 mm -55.11 -51.23 56.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.886 0.374 . . . . 0.0 111.085 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 80.9 mt -58.72 -23.12 22.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.014 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -79.65 -67.32 0.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.782 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -44.33 -30.71 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.8 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 57.6 mt -76.39 -38.78 33.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.65 -37.59 88.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -35.47 72.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -73.51 -38.95 65.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 64.5 mt -66.31 -37.83 80.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -85.04 -26.88 26.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.91 -40.59 96.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.946 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -73.23 -50.02 24.7 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.025 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 36.6 mt -55.48 -31.08 61.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -45.56 -25.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.047 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.36 -37.01 28.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.988 0.423 . . . . 0.0 110.818 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.31 -25.3 65.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 128.3 50.76 0.14 Allowed Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.299 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -133.47 -175.65 3.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.0 0.429 . . . . 0.0 110.812 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -133.76 144.63 49.17 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.954 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -109.95 143.13 40.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.964 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -99.5 110.27 22.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -38.89 -55.67 2.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.416 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -99.52 117.54 34.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.626 0.25 . . . . 0.0 110.996 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -98.03 148.29 23.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.912 0.387 . . . . 0.0 111.04 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 56.5 t -142.05 113.15 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.09 112.82 16.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . 0.402 ' C ' HD13 ' A' ' 126' ' ' ILE . 2.7 p-80 -147.78 165.68 29.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.472 ' N ' HD13 ' A' ' 126' ' ' ILE . 2.1 mp -134.89 105.87 6.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.975 0.417 . . . . 0.0 111.108 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 67.4 m -62.46 104.98 0.56 Allowed 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 33.9 mt -73.12 -35.72 66.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.968 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 164.42 134.08 1.59 Allowed Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.489 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.3 ptt85 -93.75 141.38 28.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.684 0.278 . . . . 0.0 110.905 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 62.8 t -70.52 152.27 8.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -119.36 -48.51 2.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.521 ' CZ ' ' HG2' ' A' ' 30' ' ' LYS . 30.4 p90 -163.94 115.99 1.38 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 29' ' ' ALA . 2.9 p -123.18 158.16 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.447 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 1.6 mptp? -105.7 -36.05 7.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.777 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -95.64 111.37 23.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -72.89 -61.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.411 ' C ' ' HG3' ' A' ' 142' ' ' MET . 21.1 mt -40.2 -57.77 1.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 138' ' ' LEU . . . -38.05 -36.0 0.31 Allowed Glycine 0 C--O 1.229 -0.171 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.546 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 67.6 mt -58.0 -47.43 83.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.8 0.333 . . . . 0.0 110.998 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 143' ' ' LYS . . . -83.11 -54.74 4.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.411 ' HG3' ' C ' ' A' ' 138' ' ' LEU . 2.5 mtt -40.12 -25.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.725 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 141' ' ' ALA . 19.2 ttmm -91.42 -58.08 2.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 143' ' ' LYS . 51.4 mt -36.99 -43.46 0.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.746 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -55.42 -47.43 75.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.002 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 143' ' ' LYS . 5.4 mm-40 -61.32 -42.74 99.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.75 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.445 ' CD2' HD11 ' A' ' 24' ' ' ILE . 7.5 mp -98.01 33.74 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.951 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -96.93 -39.21 9.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.054 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 150' ' ' GLU . 3.1 m120 -109.11 -21.62 12.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 149' ' ' ASN . 8.4 tm-20 -38.14 123.43 1.12 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.802 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -79.21 156.67 28.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -120.39 -35.76 3.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.125 0.488 . . . . 0.0 110.718 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 133.07 -163.82 24.23 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.41 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.8 p -140.55 174.7 10.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.736 0.303 . . . . 0.0 111.033 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -174.3 165.16 4.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.758 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 75.6 mt -114.27 130.49 68.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.031 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.454 HG22 ' CG2' ' A' ' 7' ' ' ILE . 45.1 t -86.59 100.36 9.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.207 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -91.74 -69.03 0.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.016 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -97.1 -175.02 3.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 60.4 mt -131.24 156.47 42.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -134.0 128.28 34.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.735 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 15.2 tp -110.82 121.43 45.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -114.22 162.02 17.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.449 ' HB2' ' CD1' ' A' ' 177' ' ' LEU . 13.0 ttpt -130.37 141.88 50.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 4.2 t -115.89 132.12 56.74 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.76 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 44.2 m -130.64 98.27 4.6 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 15.2 mt -68.0 133.74 49.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 30.0 p -138.28 155.24 74.19 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.435 0.636 . . . . 0.0 111.29 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -47.95 -32.56 18.16 Favored 'Trans proline' 0 N--CA 1.467 -0.083 0 C-N-CA 122.766 2.31 . . . . 0.0 112.256 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -80.2 -28.12 38.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 153.36 171.4 20.55 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.626 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.86 128.52 16.05 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.718 2.279 . . . . 0.0 112.207 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 37.6 mm -105.91 136.76 38.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.157 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -125.6 136.51 53.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 176' ' ' THR . 5.4 tp10 -159.41 152.08 21.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.072 0.463 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' THR . . . . . 0.407 ' N ' ' HG3' ' A' ' 175' ' ' GLU . 15.2 m -82.78 144.23 30.3 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.407 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . 0.449 ' CD1' ' HB2' ' A' ' 164' ' ' LYS . 21.5 mt -109.49 -40.31 4.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.083 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.464 ' HB3' ' CE ' ' A' ' 58' ' ' LYS . . . -155.47 138.54 15.51 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' ARG . . . . . 0.413 ' NH1' ' HB3' ' A' ' 179' ' ' ARG . 14.9 mtp-105 -130.7 111.55 12.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.778 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -98.64 99.63 10.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.842 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.405 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 120.914 0.388 . . . . 0.0 110.804 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 46.0 mtm-85 -94.79 90.16 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.461 ' HB2' ' CD1' ' A' ' 49' ' ' ILE . . . -90.89 146.74 23.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 4' ' ' PHE . 17.5 p90 -159.28 138.3 11.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.694 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.0 pt -93.38 126.96 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.84 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -123.4 167.0 14.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.111 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 57.6 mt -110.45 129.53 65.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.256 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.31 131.87 38.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 10' ' ' SER . 10.7 m -106.74 87.51 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.137 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 9' ' ' VAL . 86.2 p -36.88 153.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.822 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.73 -33.71 1.97 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.021 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.8 p -49.62 -38.35 31.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.006 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.5 t -89.6 -51.14 12.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.195 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -44.48 -60.02 2.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.692 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -62.47 -34.99 77.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.32 -59.92 4.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.012 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.4 mt -58.12 -49.9 75.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.5 t -53.89 -42.03 51.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.057 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -50.35 -43.78 54.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.768 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.32 -51.82 53.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.03 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.44 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 53.7 mt-30 -41.64 -62.07 0.96 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' GLN . 30.5 t0 -38.21 -41.48 0.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -73.93 -41.71 61.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.99 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 21' ' ' GLN . 49.8 mt -55.97 -59.98 2.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.58 151.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.4 p -111.27 49.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.933 0.397 . . . . 0.0 110.898 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -71.79 -66.08 0.68 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.725 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.443 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 1.3 pm0 -82.01 -38.26 25.32 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.443 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -99.75 154.99 17.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.198 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.541 ' HG2' ' CE2' ' A' ' 133' ' ' PHE . 26.5 tptp -111.98 85.55 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.663 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.7 mt -107.62 126.21 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.103 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.85 95.44 10.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.921 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.44 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 19.1 m-85 -66.47 164.14 17.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.558 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 17.5 t -111.26 150.15 13.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.098 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.45 ' N ' HG13 ' A' ' 34' ' ' VAL . 56.3 mm-40 -41.8 164.38 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.747 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -75.53 -44.62 42.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -79.6 12.38 2.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.795 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.424 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 1.9 m-80 -112.42 1.29 15.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.017 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.558 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 28.3 m-85 -88.12 9.26 23.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.424 ' CE1' ' HA ' ' A' ' 38' ' ' ASN . 2.1 p-80 -53.05 110.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.6 mt -40.64 120.73 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.247 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.7 m -75.73 103.09 5.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.074 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -64.82 -53.18 50.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 45' ' ' PHE . 21.0 tttm -153.64 145.92 23.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.439 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 49.0 t80 -98.69 140.16 33.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.784 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 mt -112.52 -62.76 1.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.748 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 102.48 -138.39 13.9 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.555 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.21 132.25 48.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.9 0.381 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 3' ' ' ALA . 24.0 mt -149.51 147.49 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.444 ' N ' HG21 ' A' ' 49' ' ' ILE . 41.5 p -89.73 131.93 35.45 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' THR . 22.4 tt0 -34.41 -39.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -69.73 -68.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -39.08 -36.76 0.32 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.143 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -40.95 -61.05 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.025 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -46.74 -32.27 3.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.756 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.424 ' CD ' HD21 ' A' ' 114' ' ' LEU . 3.0 tt0 -64.12 -47.4 80.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.79 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.445 HG13 ' CD2' ' A' ' 111' ' ' LEU . 4.2 mp -63.46 -42.4 96.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.24 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -58.03 -62.7 1.63 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.985 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.489 ' HG3' ' N ' ' A' ' 60' ' ' ILE . 4.2 ptpp? -43.65 -37.73 2.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.042 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.489 ' N ' ' HG3' ' A' ' 59' ' ' LYS . 84.9 mt -64.07 -49.48 81.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 53.5 mt -57.76 -42.93 85.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -46.36 -47.25 18.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.088 0.471 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -70.61 -60.38 2.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 84.8 mt -44.35 -64.66 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.237 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.56 -19.91 0.22 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -85.49 -51.02 6.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -18.0 43.78 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.554 ' CD2' HG12 ' A' ' 103' ' ' ILE . 47.1 m-85 -103.01 156.62 17.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.768 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -106.97 177.29 4.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -80.21 115.13 19.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.894 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.507 ' CG ' HG13 ' A' ' 99' ' ' ILE . 4.1 t-160 -95.69 143.16 27.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.042 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -105.83 103.4 12.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.903 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 34.9 m -114.86 179.64 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.108 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' A' ' 153' ' ' GLY . 0.6 OUTLIER -132.58 154.16 50.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.846 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 p -111.3 116.82 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.94 0.4 . . . . 0.0 111.155 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -165.78 148.53 7.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.79 124.1 2.87 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.391 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 60.9 mt -120.82 130.38 74.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.92 0.391 . . . . 0.0 111.14 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.94 169.04 14.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.537 -0.839 . . . . 0.0 112.517 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.7 m -138.04 159.44 33.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 120.982 0.42 . . . . 0.0 110.963 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.701 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 13.7 m-85 -143.63 154.22 59.29 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 121.657 0.741 . . . . 0.0 110.873 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.2 Cg_endo -69.65 -25.38 8.0 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.82 -1.742 . . . . 0.0 112.348 0.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 82' ' ' PRO . 1.5 m-80 -158.07 159.19 30.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 121.35 0.595 . . . . 0.0 111.096 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -48.04 -61.77 0.54 Allowed 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.659 2.239 . . . . 0.0 112.388 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -46.15 -28.58 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.014 0.435 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -134.04 92.05 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.918 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 68.9 t -87.16 135.2 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.2 mmm-85 -133.5 -33.64 1.09 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.7 t -139.05 117.94 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 72.2 mt -86.97 131.67 34.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.273 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.701 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 37.9 p-90 -148.2 144.03 27.45 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.9 168.22 11.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -125.77 149.26 17.22 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.526 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 95' ' ' GLU . 87.3 t -106.68 146.98 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.728 0.299 . . . . 0.0 111.207 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 96' ' ' ASN . 13.7 mt-10 -72.07 -176.89 1.88 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.066 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.7 t30 -34.04 105.67 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.841 0.353 . . . . 0.0 110.659 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -121.75 47.24 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.682 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 101' ' ' LYS . 5.3 tp10 -49.06 -68.36 0.19 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.507 HG13 ' CG ' ' A' ' 71' ' ' HIS . 48.1 mm -39.74 -47.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.048 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.3 mt -63.34 -40.28 88.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.472 ' HG2' ' CD1' ' A' ' 122' ' ' PHE . 6.6 mtmp? -63.57 -59.07 5.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.027 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.425 ' CD ' ' HA ' ' A' ' 99' ' ' ILE . 8.3 ptpt -50.3 -38.58 42.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.554 HG12 ' CD2' ' A' ' 68' ' ' TYR . 66.0 mt -67.86 -53.96 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.106 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -48.15 -33.98 9.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.057 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -71.32 -44.22 65.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -62.27 -47.78 82.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 58.0 mt -56.14 -35.35 41.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -81.75 -32.97 31.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.904 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.74 -39.52 74.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.677 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -76.09 -42.8 46.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.012 0.434 . . . . 0.0 110.962 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.506 ' HB3' ' CD2' ' A' ' 116' ' ' PHE . 75.6 mt -62.31 -39.88 94.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.859 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -39.86 -35.15 0.32 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.054 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -70.28 -43.66 69.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.934 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.424 HD21 ' CD ' ' A' ' 56' ' ' GLU . 22.5 mt -64.69 -26.95 68.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.798 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 123.47 47.12 0.26 Allowed Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.41 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.506 ' CD2' ' HB3' ' A' ' 111' ' ' LEU . 66.2 m-85 -120.64 168.14 11.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.89 0.376 . . . . 0.0 110.981 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -107.25 151.98 24.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.06 137.32 42.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -100.15 123.91 44.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -48.53 -54.14 14.34 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -91.29 131.43 36.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.749 0.309 . . . . 0.0 111.007 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.472 ' CD1' ' HG2' ' A' ' 101' ' ' LYS . 9.8 t80 -99.82 145.34 27.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.406 ' N ' ' CD1' ' A' ' 122' ' ' PHE . 45.8 t -142.36 109.58 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -85.49 106.19 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -135.68 168.1 19.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.853 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.548 ' N ' HD12 ' A' ' 126' ' ' ILE . 4.1 mp -136.43 106.26 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.078 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 45.4 m -64.46 111.96 2.91 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 50.3 mt -78.99 -40.62 31.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.994 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 179.37 176.18 46.83 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.651 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -116.97 142.86 46.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 110.943 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 59.5 t -84.76 105.01 13.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.191 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 17.5 tttm -73.9 -57.26 4.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.003 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.541 ' CE2' ' HG2' ' A' ' 30' ' ' LYS . 12.3 p90 -155.62 131.47 9.91 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.6 p -134.29 147.27 30.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.142 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -109.4 -44.87 3.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -83.91 99.59 10.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -62.38 -59.62 4.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 80.5 mt -43.07 -48.84 6.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -43.31 -36.5 3.04 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.648 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.64 -63.45 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 111.016 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -61.2 -61.6 2.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.108 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 141' ' ' ALA . 6.6 mmt -36.28 -35.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.641 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 144' ' ' LEU . 1.2 ttmp? -77.79 -56.28 4.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.944 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 143' ' ' LYS . 90.7 mt -37.14 -60.22 0.66 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.718 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -43.53 -49.6 7.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -58.57 -42.21 87.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 8.7 mp -101.11 39.89 1.35 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -105.52 -32.95 8.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.078 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 150' ' ' GLU . 32.1 m-80 -111.57 -23.48 10.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.811 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 149' ' ' ASN . 8.6 mt-10 -36.78 124.26 0.86 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.033 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -84.09 139.0 32.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.758 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -103.81 -38.78 6.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . 0.402 ' O ' ' ND2' ' A' ' 74' ' ' ASN . . . 138.84 -164.72 25.74 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.627 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.8 m -140.88 167.04 23.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.846 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -169.79 155.39 5.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.057 0.456 . . . . 0.0 110.803 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 54.0 mt -104.86 125.48 59.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.36 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 38.0 t -75.55 100.47 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.083 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -98.4 -67.9 0.83 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.802 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -96.33 171.14 8.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.037 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 161' ' ' GLU . 86.2 mt -126.39 151.79 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.221 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.436 ' N ' HG23 ' A' ' 160' ' ' ILE . 63.7 tt0 -126.88 145.22 50.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 12.8 tp -131.19 115.67 16.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -118.02 158.36 25.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.466 ' HB3' ' CD1' ' A' ' 177' ' ' LEU . 7.2 pttm -115.96 175.22 5.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.049 0.452 . . . . 0.0 110.744 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 30.9 m -144.58 127.71 16.62 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.802 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 28.6 m -134.29 99.61 4.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.043 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 16.2 mt -69.82 131.31 44.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.834 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 29.9 p -134.88 155.68 79.09 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.479 0.656 . . . . 0.0 111.439 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -47.78 -31.99 16.06 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.716 2.278 . . . . 0.0 112.399 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -80.43 -26.55 38.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 151.11 173.29 20.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.431 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.65 126.28 13.2 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.883 2.388 . . . . 0.0 112.268 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 14.9 mm -100.0 133.73 41.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.068 0.461 . . . . 0.0 111.079 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -128.32 132.33 48.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.744 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -158.58 146.25 18.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 24.7 m -75.02 148.27 40.0 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.212 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 164' ' ' LYS . 24.3 mt -115.86 -44.92 2.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.007 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -135.72 141.65 44.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 20.1 mmm-85 -135.85 109.04 7.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -105.25 98.3 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.066 0.46 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 . . . . . 0 C--O 1.233 0.203 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.861 -179.855 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 tpt . . . . . 0 N--CA 1.462 0.139 0 CA-C-O 120.721 0.296 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -71.51 67.41 0.52 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.772 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.34 149.21 49.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.162 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -168.32 132.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 46.3 pt -87.95 137.98 20.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.985 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.401 ' CB ' ' HB2' ' A' ' 40' ' ' HIS . . . -131.72 163.98 26.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.18 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 82.8 mt -103.7 118.79 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.064 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -50.04 120.96 4.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.454 HG21 ' CZ ' ' A' ' 14' ' ' ARG . 4.7 m -101.66 90.64 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 9' ' ' VAL . 11.6 t -33.93 148.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.792 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -43.85 -25.19 0.17 Allowed 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.82 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.5 p -51.46 -47.26 63.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.795 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.5 t -82.3 -43.17 19.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.454 ' CZ ' HG21 ' A' ' 9' ' ' VAL . 22.9 mmt180 -41.5 -64.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.909 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -58.5 -43.9 89.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.737 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.64 -62.77 1.08 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.049 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt -55.11 -48.51 73.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.038 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.7 t -52.64 -42.46 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.939 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.0 ttm-85 -50.64 -49.5 56.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.708 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.17 -50.1 74.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.944 0.402 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.523 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 69.7 mt-30 -47.23 -56.17 7.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -42.9 -34.88 1.04 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.726 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -81.01 -40.49 24.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.8 mt -54.9 -57.17 7.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.935 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.43 165.07 1.85 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.459 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.3 p -132.02 42.08 3.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.854 0.359 . . . . 0.0 110.792 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -79.88 -50.7 10.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -86.39 -45.45 11.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.461 ' HB2' ' CG2' ' A' ' 134' ' ' VAL . . . -98.84 179.01 4.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.571 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 30.8 mmmt -132.59 86.82 2.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.3 mt -111.5 120.05 61.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.009 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.11 89.44 8.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.523 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 16.6 m-85 -56.05 175.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.004 0.43 . . . . 0.0 110.826 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.567 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 46.4 t -116.51 148.91 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.961 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -42.05 159.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.075 0.464 . . . . 0.0 110.727 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.471 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 50.3 mtp180 -70.2 -42.43 72.37 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -84.47 24.7 0.96 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.445 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 2.1 m-80 -128.57 11.93 6.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 27.0 m-85 -92.48 7.75 41.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.986 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.445 ' CE1' ' HA ' ' A' ' 38' ' ' ASN . 3.4 p-80 -54.84 122.37 10.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.47 HG12 ' CG1' ' A' ' 126' ' ' ILE . 44.7 mt -58.48 120.58 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.181 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 50.0 m -69.76 102.77 1.99 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 tt -68.12 -37.47 81.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.509 ' CD ' HD21 ' A' ' 46' ' ' LEU . 8.0 tmtm? -167.39 133.1 2.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.852 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -90.08 136.71 32.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.826 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.509 HD21 ' CD ' ' A' ' 44' ' ' LYS . 20.1 mt -107.79 -63.79 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.92 -139.17 14.3 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.254 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.4 130.76 45.03 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.9 0.381 . . . . 0.0 110.811 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 46.0 mt -149.3 154.89 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.24 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.413 ' HG1' ' NE2' ' A' ' 53' ' ' GLN . 21.0 p -95.76 145.71 25.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.101 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -46.92 -35.43 6.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -72.04 -38.05 69.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.763 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.463 ' OE1' ' N ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -76.16 -30.48 58.13 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.768 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -40.22 -66.65 0.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.074 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -52.61 -29.02 23.74 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.408 ' CB ' ' O ' ' A' ' 53' ' ' GLN . 2.9 tt0 -60.04 -40.22 88.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.815 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.451 HG13 ' CD2' ' A' ' 111' ' ' LEU . 3.8 mp -69.96 -44.93 78.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.042 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.435 ' HG2' ' CB ' ' A' ' 178' ' ' ALA . 0.8 OUTLIER -63.42 -58.45 7.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.116 179.638 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 60' ' ' ILE . 15.6 ptpt -44.75 -45.26 9.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.807 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.479 ' N ' ' HG3' ' A' ' 59' ' ' LYS . 77.7 mt -61.18 -50.41 80.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 44.4 mt -50.02 -48.05 52.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -49.15 -37.61 22.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.721 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -70.2 -53.0 18.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.877 0.37 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.492 HG21 ' CE1' ' A' ' 68' ' ' TYR . 90.1 mt -61.4 -67.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.202 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -43.2 -22.97 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.268 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 64' ' ' ILE . 19.2 tttp -86.08 -53.16 5.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.717 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -19.16 61.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.581 ' CD2' HG12 ' A' ' 103' ' ' ILE . 51.5 m-85 -100.0 159.67 14.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.18 177.43 4.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.981 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.446 ' HB2' ' CG2' ' A' ' 156' ' ' ILE . 8.9 ptpt -109.76 110.04 20.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.466 ' CD2' ' N ' ' A' ' 72' ' ' GLU . 40.7 t60 -97.41 162.0 13.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.466 ' N ' ' CD2' ' A' ' 71' ' ' HIS . 10.0 tt0 -97.18 100.32 11.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.713 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 23.4 m -101.18 158.48 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.232 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 153' ' ' GLY . 16.4 t-20 -113.44 165.79 12.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.143 0.497 . . . . 0.0 110.813 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.7 p -126.71 113.52 33.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.408 ' C ' ' HD3' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -160.91 152.9 19.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.82 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.18 140.87 9.15 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.527 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.447 HG21 ' N ' ' A' ' 79' ' ' GLY . 84.2 mt -136.4 150.8 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.932 0.396 . . . . 0.0 111.005 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.447 ' N ' HG21 ' A' ' 78' ' ' ILE . . . -132.2 169.0 22.34 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.468 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.4 m -133.7 175.53 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.792 0.33 . . . . 0.0 111.115 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.57 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 11.4 m-85 -158.08 149.09 16.36 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 121.578 0.704 . . . . 0.0 110.934 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 53.5 Cg_endo -69.74 -28.38 6.29 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.891 -1.712 . . . . 0.0 112.361 -0.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -157.91 161.29 29.17 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 121.627 0.727 . . . . 0.0 110.999 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -48.11 -56.33 3.21 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.733 2.288 . . . . 0.0 112.169 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -40.31 -40.54 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.971 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -134.92 91.85 2.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.2 t -80.77 127.44 39.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.276 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -118.28 -40.16 2.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.792 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 87.9 t -135.93 126.38 42.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 79.5 mt -91.22 136.03 25.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.111 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.57 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 51.5 p-90 -146.74 139.98 25.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.829 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.39 163.14 13.71 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.16 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.44 145.2 15.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.426 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.462 HG13 ' N ' ' A' ' 95' ' ' GLU . 62.2 t -99.11 154.9 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-O 120.595 0.236 . . . . 0.0 111.304 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.497 ' O ' ' C ' ' A' ' 96' ' ' ASN . 8.3 mm-40 -75.67 -176.58 3.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.497 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -29.55 115.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.687 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 98' ' ' GLU . 2.1 m-20 -125.14 28.97 6.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.785 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 97' ' ' ASP . 4.2 tp10 -35.83 -49.63 0.62 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.3 mm -60.5 -61.51 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.112 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.2 mt -56.46 -19.77 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.218 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -78.18 -58.65 3.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.79 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -59.33 -32.94 70.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.028 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.581 HG12 ' CD2' ' A' ' 68' ' ' TYR . 91.7 mt -67.26 -44.52 87.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.097 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.48 -38.47 69.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.174 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -63.49 -41.48 98.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -66.6 -43.92 83.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.701 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.414 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 63.6 mt -62.39 -37.48 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.233 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -82.66 -30.13 29.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.878 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -57.06 -41.35 78.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.814 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.95 -52.41 11.26 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.954 0.406 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 114' ' ' LEU . 74.8 mt -51.16 -42.03 60.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -38.49 -38.71 0.4 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.988 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -68.86 -39.49 79.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 111' ' ' LEU . 48.6 mt -64.52 -17.98 64.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.74 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 112.64 42.14 0.97 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.566 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -115.82 167.62 10.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.91 0.386 . . . . 0.0 110.811 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -89.53 160.45 16.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.703 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -127.58 124.1 37.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.991 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 23.8 mp0 -97.11 110.59 23.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.974 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.28 -54.1 36.45 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.4 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -93.57 112.53 24.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.647 0.26 . . . . 0.0 110.96 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.416 ' C ' HG22 ' A' ' 123' ' ' VAL . 72.9 t80 -94.61 137.89 33.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.031 0.443 . . . . 0.0 110.831 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.416 HG22 ' C ' ' A' ' 122' ' ' PHE . 44.8 t -137.32 109.62 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.172 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.92 103.14 5.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.201 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 39.3 p-80 -136.44 168.88 18.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.479 HD11 ' N ' ' A' ' 126' ' ' ILE . 3.1 mp -139.85 106.44 2.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.136 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 89.0 m -61.69 106.74 0.71 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.037 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 29.3 mt -67.9 -41.42 82.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.696 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -179.19 -168.16 37.79 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.532 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 -132.89 138.28 46.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.939 0.4 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 56.5 t -83.2 126.09 40.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.243 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -90.48 -60.42 1.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.966 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.571 ' CE2' ' HG3' ' A' ' 30' ' ' LYS . 40.3 p90 -164.16 117.66 1.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.461 ' CG2' ' HB2' ' A' ' 29' ' ' ALA . 3.1 p -114.5 154.67 15.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.213 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -101.29 -46.59 4.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -86.2 116.34 24.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.035 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 138' ' ' LEU . 0.0 OUTLIER -78.56 -60.44 2.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 137' ' ' LYS . 30.3 mt -34.86 -60.27 0.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.954 0.406 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -37.86 -46.53 1.72 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.511 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 35.6 mt -47.31 -61.54 1.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.704 0.287 . . . . 0.0 110.693 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -68.62 -59.93 2.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.187 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 141' ' ' ALA . 23.8 mmt -35.98 -42.46 0.28 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.807 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 146' ' ' GLU . 1.7 ttmp? -70.52 -48.73 54.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.823 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 143' ' ' LYS . 64.1 mt -36.98 -41.67 0.36 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -61.55 -46.99 87.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.988 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.508 ' N ' ' OE1' ' A' ' 146' ' ' GLU . 0.7 OUTLIER -56.55 -43.62 80.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.067 0.461 . . . . 0.0 110.947 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 5.4 mp -100.72 37.31 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -96.69 -40.17 9.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.06 -18.03 11.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -40.29 108.16 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.772 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -69.62 152.06 45.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -114.61 -35.02 5.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.742 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . 0.433 ' O ' ' ND2' ' A' ' 74' ' ' ASN . . . 138.46 -163.55 25.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.365 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 44.8 t -146.13 172.43 13.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.758 0.313 . . . . 0.0 111.009 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -173.79 171.85 3.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.991 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.446 ' CG2' ' HB2' ' A' ' 70' ' ' LYS . 79.4 mt -116.7 126.67 74.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.187 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 99.3 t -76.23 98.79 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.063 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -97.43 -72.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.987 0.423 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -95.66 172.68 7.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.24 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . 0.429 HG21 ' N ' ' A' ' 161' ' ' GLU . 95.9 mt -126.35 147.79 31.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.242 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.429 ' N ' HG21 ' A' ' 160' ' ' ILE . 9.5 tt0 -127.22 124.23 38.45 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 12.0 tp -110.51 133.96 52.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -127.02 164.49 21.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.027 0.441 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -129.83 132.91 46.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.778 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 6.5 t -110.69 130.11 55.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 90.8 m -134.93 101.76 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 21.2 mt -68.26 130.46 42.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 20.6 p -132.94 157.77 77.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.51 0.672 . . . . 0.0 111.136 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -47.65 -32.02 15.51 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.825 2.35 . . . . 0.0 112.354 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -80.32 -31.36 38.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.14 0.495 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 156.61 176.41 28.66 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.357 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 123.93 10.55 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.8 2.334 . . . . 0.0 112.338 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 39.4 mm -97.54 136.29 28.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -132.29 115.47 15.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.678 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -139.57 144.07 37.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.783 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 11.8 m -75.96 145.32 40.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.149 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 26.0 mt -104.12 -46.95 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.015 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.435 ' CB ' ' HG2' ' A' ' 58' ' ' LYS . . . -153.29 148.75 27.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.041 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -135.45 105.44 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -90.87 98.07 11.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.835 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.661 -179.799 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.648 0.261 . . . . 0.0 110.759 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -97.18 101.41 12.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.21 135.22 40.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 4' ' ' PHE . 16.0 p90 -146.86 129.35 15.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 44' ' ' LYS . 13.0 pt -93.99 119.55 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.346 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 41' ' ' ILE . . . -116.9 170.5 8.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.266 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.2 mt -102.88 131.4 51.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.036 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -58.29 131.31 50.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.814 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.446 HG22 ' CZ ' ' A' ' 14' ' ' ARG . 34.2 m -108.82 90.55 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 11' ' ' GLU . 23.5 m -39.42 145.5 0.12 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.834 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 10' ' ' SER . 13.9 pt-20 -33.09 -41.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' GLU . 22.7 t -37.37 -58.31 0.85 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.978 0.418 . . . . 0.0 110.782 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.4 t -70.64 -46.36 69.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.446 ' CZ ' HG22 ' A' ' 9' ' ' VAL . 17.8 mmt180 -43.6 -60.91 1.56 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -62.32 -36.56 82.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.837 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.0 -52.61 63.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.982 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.7 mt -64.16 -55.11 24.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.957 0.408 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.8 t -50.64 -37.78 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.079 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -50.43 -45.75 56.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.969 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.91 -51.47 47.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.064 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -41.94 -60.09 1.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.817 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -39.83 -45.19 1.75 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.423 ' CD2' HD13 ' A' ' 147' ' ' LEU . 22.1 t80 -66.71 -44.51 81.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.769 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.6 mt -55.72 -60.08 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.94 163.39 0.13 Allowed Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.68 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.0 p -117.44 46.53 1.69 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.974 0.416 . . . . 0.0 110.94 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 tttm -68.52 -61.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.412 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 1.9 pm0 -90.66 -38.26 13.21 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.929 0.395 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.412 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -99.93 146.39 26.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.524 ' HG2' ' CE2' ' A' ' 133' ' ' PHE . 11.6 tptm -103.09 91.62 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.92 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.8 mt -111.05 129.08 66.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -96.6 85.29 3.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.948 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -58.11 179.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.784 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.407 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 20.2 t -122.42 151.06 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -43.46 165.83 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.443 ' HA ' ' CD2' ' A' ' 39' ' ' PHE . 10.4 mtm105 -76.84 -41.45 44.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -79.49 11.93 2.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.813 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.518 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 1.8 m-80 -116.27 2.71 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.443 ' CD2' ' HA ' ' A' ' 36' ' ' ARG . 20.0 m-85 -83.55 5.23 24.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.518 ' CE1' ' HA ' ' A' ' 38' ' ' ASN . 3.5 p-80 -50.18 118.99 3.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.765 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.471 ' O ' ' CB ' ' A' ' 6' ' ' ALA . 45.7 mt -56.57 125.15 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.266 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.1 m -76.74 115.24 16.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.972 0.415 . . . . 0.0 111.157 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.468 HD21 ' CD1' ' A' ' 107' ' ' ILE . 5.5 tt -84.3 -59.67 2.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -131.73 127.53 37.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.828 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -100.55 121.54 41.76 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.734 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.472 HD12 ' CD1' ' A' ' 49' ' ' ILE . 7.3 mt -101.24 -63.37 1.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.132 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 100.92 -127.37 9.23 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.44 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -62.81 122.72 16.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.068 0.461 . . . . 0.0 110.764 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.472 ' CD1' HD12 ' A' ' 46' ' ' LEU . 50.3 mt -145.68 147.44 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.2 p -89.09 142.79 27.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.991 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -46.25 -28.16 1.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.691 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -75.15 -70.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.793 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -44.45 -28.32 0.55 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.047 0.451 . . . . 0.0 111.099 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 56' ' ' GLU . . . -48.09 -67.35 0.28 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.025 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -43.27 -24.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.752 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 54' ' ' ALA . 5.0 tp10 -69.21 -63.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.415 ' H ' ' CD1' ' A' ' 57' ' ' ILE . 3.9 mp -36.88 -40.61 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.307 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -61.98 2.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.106 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -45.48 -56.62 4.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.405 ' CG2' HD12 ' A' ' 64' ' ' ILE . 76.6 mt -45.75 -52.88 2.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.05 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 63' ' ' LYS . 20.4 mt -57.15 -58.1 9.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 61' ' ' LEU . 4.1 tp10 -36.55 -30.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.979 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 61' ' ' LEU . 75.0 mttt -85.57 -58.88 2.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.405 HD12 ' CG2' ' A' ' 60' ' ' ILE . 77.9 mt -50.47 -50.33 21.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.73 -10.87 2.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.051 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.424 ' C ' ' HD3' ' A' ' 66' ' ' LYS . 1.3 tmtp? -104.47 -41.57 5.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -65.65 -18.54 65.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.483 ' CG ' HG12 ' A' ' 103' ' ' ILE . 45.3 m-85 -103.67 158.31 16.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -95.55 -175.95 3.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.78 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.475 ' HB3' ' CG2' ' A' ' 156' ' ' ILE . 0.3 OUTLIER -113.12 101.68 9.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.937 0.398 . . . . 0.0 110.869 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.452 ' CB ' HG13 ' A' ' 99' ' ' ILE . 21.4 t60 -98.76 143.99 28.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.77 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -86.83 110.92 20.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.5 m -104.75 173.28 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.203 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -124.32 159.98 29.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.987 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 p -127.06 103.93 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.289 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 6.4 ttt180 -150.85 143.2 24.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.768 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.425 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 103.03 145.62 15.75 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.727 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.447 HG21 ' N ' ' A' ' 79' ' ' GLY . 88.9 mt -138.14 134.8 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.816 0.341 . . . . 0.0 111.187 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.569 ' HA3' ' CZ2' ' A' ' 91' ' ' TRP . . . -111.33 158.17 14.51 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.676 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.9 m -127.4 164.89 27.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.814 0.34 . . . . 0.0 111.189 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.61 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 11.5 m-85 -151.95 149.26 23.11 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.462 0.649 . . . . 0.0 110.968 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 53.8 Cg_endo -69.78 -30.29 5.23 Favored 'Cis proline' 0 C--O 1.229 0.064 0 C-N-CA 122.591 -1.837 . . . . 0.0 112.297 0.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.78 161.51 29.24 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.693 0.759 . . . . 0.0 110.819 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -48.16 -65.11 0.18 Allowed 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.636 2.224 . . . . 0.0 112.462 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -42.35 -30.14 0.31 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -133.81 92.03 2.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.082 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 80.4 t -86.92 131.14 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -123.67 -42.31 2.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.799 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.2 t -133.92 122.69 42.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.928 0.394 . . . . 0.0 111.169 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 73.8 mt -87.14 123.25 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.195 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.61 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 58.3 p-90 -137.47 136.26 37.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.05 161.47 15.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.87 151.41 17.07 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.555 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.472 HG11 ' N ' ' A' ' 95' ' ' GLU . 88.5 t -104.92 149.92 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.891 0.376 . . . . 0.0 111.234 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.514 ' O ' ' C ' ' A' ' 96' ' ' ASN . 12.5 mm-40 -71.06 -176.06 1.31 Allowed 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.514 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.6 OUTLIER -28.86 115.37 0.09 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.814 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 95' ' ' GLU . 63.4 m-20 -129.35 29.76 5.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.766 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -40.77 -50.63 3.14 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.813 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.452 HG13 ' CB ' ' A' ' 71' ' ' HIS . 39.6 mm -54.27 -53.72 27.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.056 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.1 mt -60.77 -26.78 39.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.074 0.464 . . . . 0.0 111.227 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -71.68 -58.6 3.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.835 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.477 ' HE3' ' CD1' ' A' ' 68' ' ' TYR . 10.2 pttt -53.72 -38.34 64.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.848 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.483 HG12 ' CG ' ' A' ' 68' ' ' TYR . 95.2 mt -67.23 -42.91 88.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.086 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.409 ' CB ' ' CD2' ' A' ' 122' ' ' PHE . . . -57.84 -36.86 72.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.093 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.1 tttp -65.82 -46.3 79.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.764 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -60.42 -47.25 86.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.759 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.468 ' CD1' HD21 ' A' ' 43' ' ' LEU . 55.3 mt -51.2 -40.41 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 109' ' ' ASP . 4.4 t0 -77.84 -53.84 7.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.908 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 108' ' ' ASP . 7.0 t70 -34.78 -51.27 0.49 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.94 -47.96 70.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.557 ' HB3' ' CD2' ' A' ' 116' ' ' PHE . 51.3 mt -52.01 -44.86 64.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 111' ' ' LEU . . . -34.68 -38.66 0.08 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.887 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -65.84 -46.75 77.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.938 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 111' ' ' LEU . 33.3 mt -65.2 -26.78 68.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.04 0.447 . . . . 0.0 110.933 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 121.47 66.38 0.25 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.631 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.557 ' CD2' ' HB3' ' A' ' 111' ' ' LEU . 96.7 m-85 -141.07 152.79 45.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.995 0.426 . . . . 0.0 110.753 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -76.52 159.35 30.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.781 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -109.18 109.6 20.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.862 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -100.07 83.6 2.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.945 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.92 -48.34 57.87 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.447 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -70.76 101.99 2.22 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.676 0.274 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.514 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 2.7 t80 -99.23 133.86 42.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 20.6 t -137.03 106.38 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.186 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.34 104.22 6.75 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -140.1 168.97 18.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.525 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.6 mp -139.78 105.78 2.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.025 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 91.3 m -64.3 106.72 1.16 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.032 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 72.0 mt -69.92 -39.59 76.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.052 0.453 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -178.6 -162.09 27.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -141.44 144.32 34.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.919 0.39 . . . . 0.0 110.874 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 61.6 t -90.18 115.02 28.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.206 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -82.69 -55.96 4.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.786 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.524 ' CE2' ' HG2' ' A' ' 30' ' ' LYS . 35.5 p90 -157.03 122.75 4.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.5 p -124.32 150.01 28.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -105.75 -43.44 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.04 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -84.69 107.0 16.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.044 0.449 . . . . 0.0 111.066 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -74.76 -64.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.829 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 37.6 mt -39.47 -48.4 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.959 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -42.99 -46.65 6.23 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.392 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 20.9 mt -50.18 -63.23 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 111.004 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.26 -52.38 65.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.215 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.4 mmt -51.56 -29.0 15.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -81.88 -54.46 5.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.014 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 57.7 mt -39.1 -58.56 1.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -38.47 -54.81 1.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.817 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -55.42 -42.71 74.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.851 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.423 HD13 ' CD2' ' A' ' 23' ' ' TYR . 7.9 mp -101.44 34.43 2.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.951 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -94.8 -35.9 11.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.217 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 150' ' ' GLU . 0.7 OUTLIER -116.43 -13.37 10.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.909 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 149' ' ' ASN . 2.8 tt0 -35.96 113.33 0.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -72.72 143.62 47.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.811 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -111.02 -37.35 5.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 138.06 -161.1 25.53 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.563 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 62.8 m -141.41 171.05 14.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.948 0.404 . . . . 0.0 111.001 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -172.52 162.86 5.33 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 70' ' ' LYS . 85.2 mt -109.58 127.22 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.189 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 66.8 t -78.91 89.96 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.996 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.42 ' HA ' ' CG ' ' A' ' 70' ' ' LYS . 3.4 mt-10 -98.56 -67.19 0.86 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.966 0.412 . . . . 0.0 110.778 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -88.2 169.99 11.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 161' ' ' GLU . 89.4 mt -134.58 142.84 39.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.468 ' N ' HG22 ' A' ' 160' ' ' ILE . 12.7 tm-20 -121.86 131.12 53.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.007 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 17.6 tp -112.29 128.65 56.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.083 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 8.0 tttm -129.3 146.98 51.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.926 0.393 . . . . 0.0 110.983 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -107.14 168.47 9.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.764 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 14.4 m -145.29 126.82 15.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 90.3 m -134.96 100.73 4.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.201 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 32.3 mt -72.02 132.74 44.68 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 66.7 p -136.63 155.98 76.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.632 0.73 . . . . 0.0 111.163 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -48.09 -31.54 16.59 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.795 2.33 . . . . 0.0 112.2 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -27.87 37.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.053 0.454 . . . . 0.0 110.834 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 152.94 171.12 20.0 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.475 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . 0.463 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 55.6 Cg_endo -69.73 130.95 20.27 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.736 2.291 . . . . 0.0 112.518 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 46.6 mm -101.6 127.58 54.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -125.75 126.39 44.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 176' ' ' THR . 5.7 tp10 -156.29 149.01 23.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.854 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' THR . . . . . 0.437 ' N ' ' HG3' ' A' ' 175' ' ' GLU . 5.3 m -82.63 150.89 26.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.127 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 36.4 mt -117.61 -39.25 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -150.69 130.75 13.46 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.218 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -125.96 110.34 13.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.031 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -101.28 99.05 9.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.945 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 ptt? . . . . . 0 N--CA 1.454 -0.233 0 CA-C-O 121.031 0.443 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -85.36 87.04 7.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.762 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.69 146.23 26.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.143 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.559 ' CD1' ' O ' ' A' ' 4' ' ' PHE . 6.4 p90 -167.39 135.98 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.796 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.438 ' CD1' ' HB3' ' A' ' 44' ' ' LYS . 42.3 pt -88.94 139.89 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.07 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -137.3 173.01 12.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.048 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.3 mt -115.49 122.05 68.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.168 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -50.35 136.0 20.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.79 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.1 m -115.97 86.62 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -42.91 165.44 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -46.09 -42.04 13.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.74 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.2 p -41.01 -35.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.792 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.9 t -97.38 -58.34 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.118 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -38.54 -69.66 0.12 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.824 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -50.07 -35.52 25.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.849 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.85 -62.96 1.43 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.826 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.441 ' HA ' ' CE1' ' A' ' 152' ' ' PHE . 93.6 mt -57.01 -43.07 81.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.745 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.413 HG22 ' CZ ' ' A' ' 36' ' ' ARG . 93.4 t -62.7 -34.38 65.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.2 tpt85 -58.2 -48.86 79.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.767 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.55 -52.93 63.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.167 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.513 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 51.8 mt-30 -44.53 -53.14 7.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -45.73 -43.29 12.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.714 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -70.74 -28.16 64.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.95 0.405 . . . . 0.0 110.979 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.4 mt -70.19 -60.3 2.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.228 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.6 151.97 0.41 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.386 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.3 p -117.58 52.58 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.96 0.41 . . . . 0.0 110.937 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -92.96 -54.6 3.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.476 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -86.42 -38.5 17.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.476 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -100.15 171.98 7.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.492 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 2.4 tmtm? -125.89 94.74 4.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.6 mt -122.38 134.1 66.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -101.31 82.93 2.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.513 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 19.8 m-85 -56.79 166.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.441 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 25.0 t -105.27 145.91 12.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.28 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.407 ' N ' HG12 ' A' ' 34' ' ' VAL . 77.0 mm-40 -38.59 155.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.957 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.57 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 5.5 ttt85 -65.66 -42.15 91.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.71 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -81.33 15.71 1.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.99 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -120.05 11.39 11.68 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' A' ' 36' ' ' ARG . 22.7 m-85 -89.94 7.78 35.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.66 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -55.21 128.69 35.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.957 0.408 . . . . 0.0 110.778 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.3 mt -63.83 117.31 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.06 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 44.7 m -74.69 104.13 5.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.205 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.408 ' C ' HD23 ' A' ' 43' ' ' LEU . 5.2 tt -75.64 -53.41 8.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.438 ' HB3' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -138.73 124.17 19.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.048 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -93.55 133.81 36.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.459 ' CD2' HD12 ' A' ' 111' ' ' LEU . 8.6 mt -114.77 -67.34 1.0 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.38 -129.68 9.98 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.432 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -64.58 129.0 38.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 110.981 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.405 HG21 ' N ' ' A' ' 50' ' ' THR . 14.7 mt -150.32 153.64 10.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 52' ' ' GLU . 44.6 p -104.6 133.11 50.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' THR . 28.0 tt0 -37.12 -28.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.764 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 50' ' ' THR . 19.8 mt-10 -71.27 -48.67 49.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.982 0.42 . . . . 0.0 111.111 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' THR . 66.5 mm-40 -74.26 -35.46 63.78 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.074 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.88 -55.66 9.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -55.06 -15.68 2.31 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -77.9 -53.05 7.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.464 HG13 ' CD2' ' A' ' 111' ' ' LEU . 1.7 mp -42.34 -54.0 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.186 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 59' ' ' LYS . 68.4 mttt -36.33 -70.55 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 58' ' ' LYS . 44.1 mttm -33.94 -67.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.981 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.412 HG21 ' CD ' ' A' ' 110' ' ' GLU . 85.8 mt -40.42 -53.72 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.222 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.4 mt -54.05 -50.8 65.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.787 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -56.86 -28.51 61.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.737 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -85.67 -19.63 30.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.8 mt -92.26 -62.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.52 -17.02 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.152 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -30.12 19.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.02 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -84.9 -11.84 54.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -110.96 158.12 19.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -103.18 -178.24 3.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.46 ' HB2' ' CG2' ' A' ' 156' ' ' ILE . 0.0 OUTLIER -111.04 109.91 20.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.961 179.764 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.458 ' CD2' ' H ' ' A' ' 72' ' ' GLU . 3.2 t-160 -95.16 172.76 7.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.753 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.458 ' H ' ' CD2' ' A' ' 71' ' ' HIS . 12.4 tt0 -109.41 95.41 5.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.9 m -106.28 160.77 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.013 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.493 ' ND2' ' CB ' ' A' ' 95' ' ' GLU . 6.2 p30 -118.47 160.27 22.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 p -113.5 94.32 3.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.015 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -138.49 138.87 38.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.15 131.94 6.83 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.344 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.445 HG22 ' N ' ' A' ' 79' ' ' GLY . 62.3 mt -126.57 145.46 34.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.952 0.406 . . . . 0.0 111.08 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.445 ' N ' HG22 ' A' ' 78' ' ' ILE . . . -122.19 173.51 15.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.416 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 32.7 m -139.05 171.7 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.882 0.373 . . . . 0.0 111.18 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.637 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 10.1 m-85 -157.79 149.54 17.14 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.608 0.718 . . . . 0.0 111.047 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.4 Cg_endo -69.88 -22.27 9.84 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.733 -1.778 . . . . 0.0 112.469 0.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 86' ' ' TYR . 0.5 OUTLIER -162.93 162.52 18.26 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.738 0.78 . . . . 0.0 110.83 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 85' ' ' ASN . 67.2 Cg_exo -47.77 -63.73 0.29 Allowed 'Trans proline' 0 CA--C 1.527 0.128 0 C-N-CA 122.796 2.331 . . . . 0.0 112.276 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 84' ' ' PRO . 11.6 m-20 -37.8 -38.29 0.28 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 83' ' ' ASN . 4.1 t80 -131.89 100.72 5.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.3 t -93.71 130.15 43.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -126.43 -31.33 2.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.694 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 79.6 t -138.2 121.0 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 84.6 mt -91.56 118.52 37.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.131 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.637 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 28.9 p-90 -129.95 135.44 48.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.986 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -89.19 156.43 18.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.963 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.04 154.42 17.69 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.314 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.471 HG11 ' N ' ' A' ' 95' ' ' GLU . 84.4 t -107.25 147.3 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.619 0.247 . . . . 0.0 111.225 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' A' ' 96' ' ' ASN . 17.3 mm-40 -70.65 -176.25 1.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.751 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.528 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.9 p30 -25.31 108.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.037 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 98' ' ' GLU . 2.6 p30 -128.68 37.05 4.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 101' ' ' LYS . 9.0 tt0 -37.19 -71.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 98' ' ' GLU . 10.1 mm -35.24 -55.29 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.04 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.1 mt -55.53 -39.31 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.188 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 98' ' ' GLU . 6.6 mtmp? -67.52 -64.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -47.0 -28.07 1.51 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.959 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 94.9 mt -80.89 -46.35 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.09 0.471 . . . . 0.0 111.376 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.31 -39.5 64.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.032 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 106' ' ' GLU . 5.3 ptmm? -73.05 -34.2 66.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.825 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 105' ' ' LYS . 29.1 tp10 -68.76 -44.1 74.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.649 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.9 mt -63.84 -30.88 51.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.077 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.4 ' CG ' ' HA ' ' A' ' 118' ' ' LYS . 4.8 t0 -77.16 -39.31 49.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.013 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -57.04 -35.24 69.06 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.412 ' CD ' HG21 ' A' ' 60' ' ' ILE . 6.7 mt-10 -83.05 -50.08 8.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.815 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.464 ' CD2' HG13 ' A' ' 57' ' ' ILE . 74.7 mt -56.65 -41.42 77.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.44 -40.84 1.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.038 0.446 . . . . 0.0 111.131 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -65.5 -38.32 89.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.71 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 111' ' ' LEU . 76.8 mt -65.57 -27.26 68.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 122.36 48.76 0.26 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.396 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -130.67 148.87 52.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.944 0.402 . . . . 0.0 110.772 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -67.08 157.11 34.37 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.828 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.4 ' HA ' ' CG ' ' A' ' 108' ' ' ASP . 1.4 ttmp? -121.38 127.5 51.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -100.0 116.08 31.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.776 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -46.61 -72.91 0.34 Allowed Glycine 0 C--O 1.228 -0.224 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.387 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.51 127.22 44.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.662 0.268 . . . . 0.0 110.996 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -97.27 151.6 19.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 57.4 t -140.46 117.12 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.977 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.6 106.49 9.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.97 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -143.67 168.05 20.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.015 0.436 . . . . 0.0 110.758 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.494 ' N ' HD13 ' A' ' 126' ' ' ILE . 3.3 mp -141.12 106.36 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 83.4 m -62.79 112.56 2.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 86.8 mt -72.66 -38.65 67.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.785 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 177.46 -166.84 37.53 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.555 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -129.37 139.08 51.82 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.747 0.308 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 62.3 t -90.74 111.86 24.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.019 0.438 . . . . 0.0 111.072 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -84.03 -55.67 4.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.01 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 133' ' ' PHE . 2.2 p90 -154.19 138.72 16.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.947 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.413 HG21 ' N ' ' A' ' 135' ' ' LYS . 2.1 p -133.77 153.14 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.132 0.491 . . . . 0.0 111.019 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.413 ' N ' HG21 ' A' ' 134' ' ' VAL . 23.0 tptp -109.01 -49.45 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.819 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -82.86 115.26 21.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -60.48 2.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 38.0 mt -42.34 -53.85 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -38.28 -43.75 1.51 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.526 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 22.3 mt -59.4 -63.28 1.36 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.901 0.381 . . . . 0.0 110.815 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -60.66 -58.37 8.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.012 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.415 ' C ' ' O ' ' A' ' 141' ' ' ALA . 8.9 mmt -37.31 -44.66 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.083 0.468 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 146' ' ' GLU . 11.4 mttp -72.32 -62.46 1.43 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.453 ' O ' ' CB ' ' A' ' 148' ' ' ALA . 42.4 mt -40.58 -42.45 1.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.057 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.41 ' HD3' ' C ' ' A' ' 145' ' ' LYS . 11.4 tmtt? -61.04 -39.49 90.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 143' ' ' LYS . 80.3 mm-40 -76.87 -53.23 8.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.975 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 147' ' ' LEU . 3.1 mp -71.17 -6.26 38.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 144' ' ' LEU . . . -65.23 -33.92 77.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 150' ' ' GLU . 14.0 m120 -115.72 -23.2 8.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.929 0.395 . . . . 0.0 110.771 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 149' ' ' ASN . 6.1 tt0 -38.39 107.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.025 0.441 . . . . 0.0 110.808 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -65.92 145.69 55.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . 0.441 ' CE1' ' HA ' ' A' ' 17' ' ' LEU . 64.1 m-85 -108.0 -32.31 7.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.688 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 139.89 -163.73 26.2 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.537 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 23.7 p -145.53 164.69 30.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.794 0.331 . . . . 0.0 110.884 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -170.45 165.07 8.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.46 ' CG2' ' HB2' ' A' ' 70' ' ' LYS . 96.6 mt -112.07 129.51 67.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 85.6 t -81.69 99.74 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.181 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -95.94 -73.66 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.766 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -97.32 177.43 5.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . 0.462 HG21 ' N ' ' A' ' 161' ' ' GLU . 83.2 mt -129.51 143.11 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.303 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.462 ' N ' HG21 ' A' ' 160' ' ' ILE . 11.3 mp0 -119.13 125.02 48.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.019 0.438 . . . . 0.0 110.89 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 4.7 tp -106.99 120.93 43.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 50.3 mttt -125.82 153.08 44.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.01 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.433 ' HD2' ' CD2' ' A' ' 177' ' ' LEU . 0.0 OUTLIER -114.72 172.2 7.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.539 ' OG ' ' CE1' ' A' ' 174' ' ' TYR . 1.7 m -137.11 121.81 18.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 97.1 m -129.13 99.51 5.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.009 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 9.6 mt -65.95 133.24 50.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 44.2 p -137.64 155.36 75.21 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.391 0.615 . . . . 0.0 111.204 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -47.67 -32.94 17.45 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.827 2.352 . . . . 0.0 112.244 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -79.93 -26.17 40.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 149.11 173.4 19.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.607 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.55 129.43 17.82 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.339 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 49.8 mm -101.24 128.8 53.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . 0.539 ' CE1' ' OG ' ' A' ' 165' ' ' SER . 4.4 m-85 -129.03 120.99 26.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.411 ' HB3' ' NZ ' ' A' ' 164' ' ' LYS . 30.5 tt0 -151.6 159.67 43.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.805 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 8.5 m -85.0 146.45 27.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.193 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . 0.433 ' CD2' ' HD2' ' A' ' 164' ' ' LYS . 21.7 mt -110.77 -34.23 6.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.969 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -149.06 149.26 30.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.15 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.68 108.59 5.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.749 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -99.4 100.6 11.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.822 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.059 0.457 . . . . 0.0 110.736 -179.928 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 ptt? . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.879 0.371 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.37 111.95 20.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.839 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.63 160.93 13.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -171.57 133.87 0.81 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.041 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.2 pt -98.87 115.75 40.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.089 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -115.09 166.37 11.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.3 mt -109.06 123.21 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.196 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -50.95 128.4 21.2 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.059 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 m -104.8 90.36 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.959 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 t -44.33 169.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.712 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -51.63 -40.6 60.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.807 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.8 p -43.09 -35.16 1.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 56.1 t -96.26 -52.1 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.274 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -46.23 -68.16 0.22 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -48.4 -40.96 27.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.19 -57.16 13.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.6 mt -59.69 -47.07 87.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.017 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.3 t -57.45 -41.79 79.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.281 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -49.01 -45.68 42.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.686 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.67 -50.93 65.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.056 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.481 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 42.0 mt-30 -45.69 -57.1 4.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -41.89 -38.41 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -75.06 -40.28 60.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.048 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 53.4 mt -52.25 -57.15 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.15 160.26 0.37 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.536 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.2 p -123.07 44.59 2.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.799 0.333 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -79.13 -61.43 2.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.62 -52.89 7.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.804 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.412 ' HB1' ' CG2' ' A' ' 134' ' ' VAL . . . -99.79 149.9 22.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.218 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -103.82 109.04 20.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.926 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.2 mt -126.41 129.01 71.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.136 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -89.64 88.66 7.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.481 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 19.1 m-85 -56.13 174.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.0 0.429 . . . . 0.0 111.045 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.432 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 58.0 t -119.06 147.12 22.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -40.95 161.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.843 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.3 mtt85 -72.68 -43.59 62.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.953 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -83.34 21.37 1.16 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.044 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -122.94 4.11 9.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.05 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.432 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 24.1 m-85 -84.66 6.0 25.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -49.9 141.05 11.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.4 mt -79.17 119.04 27.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.6 m -70.29 105.88 3.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.953 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 tt -68.82 -44.05 74.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.484 ' CD ' HD23 ' A' ' 46' ' ' LEU . 9.1 tmtt? -162.35 125.65 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -86.47 131.41 34.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.966 0.412 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.484 HD23 ' CD ' ' A' ' 44' ' ' LYS . 21.4 mt -102.57 -60.37 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.757 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.6 -132.51 11.05 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.332 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -63.4 132.09 50.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.85 0.357 . . . . 0.0 110.993 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.454 ' CD1' HD13 ' A' ' 46' ' ' LEU . 15.2 mt -155.39 144.11 12.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.451 ' N ' HG21 ' A' ' 49' ' ' ILE . 47.8 p -87.87 137.84 31.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.229 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -43.67 -22.84 0.06 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 50' ' ' THR . 14.0 mt-10 -77.94 -61.47 1.99 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.408 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 21.7 mt-30 -59.33 -25.84 64.52 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.087 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.98 -51.19 10.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -62.57 -32.39 73.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -57.56 -51.74 68.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.723 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' LYS . 4.0 mp -51.64 -54.64 11.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.171 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.456 ' HE3' ' CB ' ' A' ' 178' ' ' ALA . 42.1 mtpt -36.27 -71.42 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.7 mmtp -37.25 -58.2 0.83 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.765 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 76.7 mt -43.94 -42.7 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.6 mt -74.31 -58.73 3.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.855 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -43.88 -38.63 3.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.943 0.402 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -77.98 -66.12 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 67' ' ' LYS . 70.2 mt -41.04 -69.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.987 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' ILE . . . -36.03 -34.73 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.061 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 64' ' ' ILE . 25.4 tptp -79.78 -45.14 19.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.701 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 64' ' ' ILE . 10.2 ptpt -56.35 -14.33 2.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.005 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.401 ' CD1' HG21 ' A' ' 64' ' ' ILE . 54.0 m-85 -103.08 172.4 6.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.943 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -109.09 144.88 36.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.44 ' CD ' ' HA ' ' A' ' 158' ' ' GLU . 20.0 mmtm -61.37 110.02 1.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -99.41 155.77 17.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.999 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -112.13 103.63 11.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.94 0.4 . . . . 0.0 110.762 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 29.3 m -106.0 167.87 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.497 ' OD1' ' N ' ' A' ' 75' ' ' VAL . 2.6 t-20 -121.88 159.37 26.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.497 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 2.4 p -120.29 114.07 42.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 28.5 ttt180 -164.99 147.22 8.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.858 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.408 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 95.99 137.67 9.39 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.691 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.434 HG23 ' N ' ' A' ' 79' ' ' GLY . 65.7 mt -131.81 136.03 57.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.735 0.303 . . . . 0.0 111.208 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.434 ' N ' HG23 ' A' ' 78' ' ' ILE . . . -112.62 169.77 13.17 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.448 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.9 m -139.47 160.65 28.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.832 0.349 . . . . 0.0 111.174 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.594 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 11.2 m-85 -145.41 152.1 49.06 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.867 0.841 . . . . 0.0 110.773 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.3 Cg_endo -69.73 -22.28 9.7 Favored 'Cis proline' 0 C--N 1.343 0.257 0 C-N-CA 122.763 -1.766 . . . . 0.0 112.379 0.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -166.12 163.08 12.17 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.808 0.813 . . . . 0.0 110.82 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 85' ' ' ASN . 65.0 Cg_exo -47.85 -63.29 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' PRO . 6.2 m120 -37.94 -37.97 0.28 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -133.88 99.38 4.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 54.3 t -89.63 130.65 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.259 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -124.94 -39.48 2.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.1 t -134.22 122.32 40.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.15 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 82.2 mt -89.87 130.02 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.594 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 30.3 p-90 -144.66 146.3 32.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -95.62 164.29 12.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.96 149.53 17.0 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.372 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 95' ' ' GLU . 98.4 t -100.31 146.94 8.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.781 0.324 . . . . 0.0 111.128 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' A' ' 96' ' ' ASN . 48.2 mm-40 -71.68 -176.61 1.66 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.503 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.5 OUTLIER -29.61 99.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -123.06 54.02 1.27 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.804 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -68.81 -42.96 76.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.948 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.1 mm -61.45 -33.01 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.023 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 58.7 mt -78.38 -19.43 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.089 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -75.15 -70.95 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.789 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.421 ' NZ ' ' HB3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -38.15 -39.88 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.0 mt -64.07 -59.09 4.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.156 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -49.79 -35.8 23.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.004 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -71.42 -38.15 71.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.715 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -67.06 -49.48 64.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.758 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 66.8 mt -52.57 -40.66 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 111' ' ' LEU . 12.9 t70 -73.78 -54.89 7.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.06 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 108' ' ' ASP . 1.7 m-20 -37.04 -47.94 0.76 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -67.94 -41.64 82.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.036 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.508 ' HB3' ' CD1' ' A' ' 116' ' ' PHE . 38.3 mt -60.91 -38.74 86.77 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.949 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -38.91 -34.6 0.16 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.009 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -76.18 -39.65 54.32 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.786 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 111' ' ' LEU . 55.9 mt -66.67 -26.31 66.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.959 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 123.91 61.6 0.19 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.42 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.508 ' CD1' ' HB3' ' A' ' 111' ' ' LEU . 89.7 m-85 -140.05 162.13 35.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.028 0.442 . . . . 0.0 110.697 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -79.02 156.54 28.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.017 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.82 118.26 36.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.785 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -98.71 104.92 17.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.837 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.06 -73.87 0.38 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.352 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -93.41 124.73 37.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.042 0.449 . . . . 0.0 110.903 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -99.72 152.55 19.97 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 93.9 t -138.6 132.58 41.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.39 98.18 9.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.184 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -132.72 164.69 26.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.647 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.47 ' N ' HD13 ' A' ' 126' ' ' ILE . 2.7 mp -136.99 106.7 4.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 99.7 m -64.85 112.14 3.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.965 0.412 . . . . 0.0 111.241 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 47.0 mt -74.43 -41.41 60.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.975 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -175.24 -168.97 36.49 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.546 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -132.84 149.36 52.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.81 0.338 . . . . 0.0 110.81 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 80.5 t -97.9 113.17 31.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.31 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.61 -57.02 3.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -156.36 132.1 9.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.478 ' CG2' ' N ' ' A' ' 135' ' ' LYS . 1.7 p -131.99 157.31 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.232 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.478 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 46.0 tttt -107.21 -40.7 5.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.19 108.89 20.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.095 0.474 . . . . 0.0 110.819 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -69.48 -59.23 3.12 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.8 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 33.6 mt -41.37 -59.18 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -37.85 -35.3 0.23 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.449 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 67.0 mt -56.06 -56.4 21.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.63 0.252 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -74.92 -51.76 12.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.093 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 31.8 mmt -39.63 -37.81 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.03 -50.59 54.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 39.9 mt -42.18 -62.52 0.92 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.722 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 21.1 mmtm -38.91 -43.36 0.95 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.982 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -67.49 -43.84 79.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.038 0.447 . . . . 0.0 110.996 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.3 mp -98.78 34.48 2.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.668 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -100.41 -32.48 10.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 150' ' ' GLU . 23.8 p30 -109.11 -30.62 7.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 149' ' ' ASN . 9.3 mt-10 -35.42 122.31 0.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.814 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -83.77 162.8 20.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -125.08 -36.92 2.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 137.12 -164.29 25.29 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.513 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 17.8 m -145.81 164.56 31.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.026 0.441 . . . . 0.0 110.864 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -166.33 173.88 9.62 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.855 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 57.4 mt -115.98 131.52 68.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 95.6 t -86.74 98.36 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.978 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.44 ' HA ' ' CD ' ' A' ' 70' ' ' LYS . 14.6 mp0 -99.99 -70.65 0.73 Allowed 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -86.46 176.1 8.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.165 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . 0.432 HG21 ' N ' ' A' ' 161' ' ' GLU . 85.0 mt -137.32 150.75 26.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.042 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.432 ' N ' HG21 ' A' ' 160' ' ' ILE . 15.5 tt0 -119.66 133.35 55.68 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.07 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 49.1 tp -115.89 101.68 9.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.053 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -105.58 166.27 10.57 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.971 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.402 ' HG2' ' CD2' ' A' ' 177' ' ' LEU . 0.0 OUTLIER -125.64 176.42 6.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.044 0.45 . . . . 0.0 110.683 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 29.4 t -145.32 130.05 18.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.725 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 32.3 m -141.95 105.18 4.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.043 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.88 134.08 41.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 68.7 p -135.19 155.85 78.58 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.355 0.598 . . . . 0.0 111.355 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -48.13 -32.31 18.55 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.834 2.356 . . . . 0.0 112.259 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -80.42 -26.81 38.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.973 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 151.25 175.39 23.04 Favored Glycine 0 C--N 1.328 0.139 0 C-N-CA 120.839 -0.695 . . . . 0.0 112.419 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 136.3 32.54 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.564 2.176 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 47.9 mm -108.4 119.86 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.276 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -117.38 115.28 24.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -143.18 162.21 36.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 3.3 m -92.77 148.35 22.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.062 0.458 . . . . 0.0 110.967 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . 0.402 ' CD2' ' HG2' ' A' ' 164' ' ' LYS . 20.0 mt -110.16 -37.01 5.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.958 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.456 ' CB ' ' HE3' ' A' ' 58' ' ' LYS . . . -156.51 141.21 16.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.025 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' ARG . . . . . 0.434 ' HD3' ' N ' ' A' ' 179' ' ' ARG . 1.1 mpp_? -127.64 105.02 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -92.33 98.27 11.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.8 ptt? . . . . . 0 N--CA 1.456 -0.139 0 CA-C-O 120.657 0.265 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -76.54 75.68 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.749 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.72 149.14 49.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.285 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -163.73 131.99 3.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.966 0.412 . . . . 0.0 110.704 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 44' ' ' LYS . 32.5 pt -87.41 140.68 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -145.18 165.42 28.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.8 mt -109.5 136.69 44.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.224 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.93 132.93 55.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.752 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 m -109.86 91.4 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 t -44.62 168.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.616 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -52.73 -33.84 49.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.039 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.6 p -47.89 -35.04 9.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.0 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 96.7 t -96.78 -58.2 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.112 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -40.71 -61.04 1.01 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -55.68 -42.57 75.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.48 -62.81 1.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.4 mt -52.22 -40.41 61.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.0 t -61.2 -40.21 85.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.023 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.7 ttt85 -53.41 -45.42 69.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.676 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.53 -51.7 68.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 24' ' ' ILE . 53.8 mt-30 -46.25 -60.9 2.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -40.35 -38.92 0.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.805 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -77.1 -32.94 56.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.974 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.481 ' N ' ' O ' ' A' ' 21' ' ' GLN . 69.1 mt -67.63 -62.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.21 164.31 0.17 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.473 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.4 p -114.97 39.77 2.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.072 0.463 . . . . 0.0 110.961 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -58.91 -64.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.719 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -92.83 -41.7 9.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.42 ' HB3' ' CG2' ' A' ' 134' ' ' VAL . . . -98.44 146.9 25.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.989 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 133' ' ' PHE . 1.7 mmmp? -104.62 116.64 32.4 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.746 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 35.9 mt -135.26 121.94 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.089 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -83.32 81.11 8.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.938 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.48 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 13.3 m-85 -56.98 162.68 2.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.981 0.419 . . . . 0.0 110.791 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 35' ' ' GLU . 22.0 t -104.81 160.78 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.184 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.456 ' N ' HG13 ' A' ' 34' ' ' VAL . 58.8 mm-40 -51.62 165.99 0.15 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.0 mtt85 -74.28 -41.73 60.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.2 pm0 -87.3 26.44 1.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.948 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -126.61 6.98 6.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -87.59 6.45 34.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -48.34 117.85 2.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 56.6 mt -54.73 125.01 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.317 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.1 m -78.83 102.7 8.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.013 0.435 . . . . 0.0 111.024 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 tt -64.53 -39.43 93.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.473 ' HB3' ' CD1' ' A' ' 5' ' ' ILE . 19.8 tttm -166.09 140.12 4.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.682 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -96.08 140.0 31.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.5 mt -110.84 -64.18 1.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.014 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.55 -134.9 12.51 Favored Glycine 0 C--O 1.227 -0.315 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.33 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -66.11 133.99 51.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.71 0.291 . . . . 0.0 111.034 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 11.9 mt -152.96 146.52 14.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.054 0.454 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.7 p -95.5 144.63 25.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.285 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -47.47 -28.66 2.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -71.94 -64.87 0.85 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -51.19 -24.1 3.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.61 -39.19 61.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.119 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -65.52 -19.8 66.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.988 0.423 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -77.33 -58.27 3.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.964 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 58' ' ' LYS . 3.9 mp -39.23 -61.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 57' ' ' ILE . 92.0 mttt -34.53 -72.21 0.06 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.03 0.443 . . . . 0.0 111.075 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' LYS . 63.1 mmtt -34.31 -54.18 0.51 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.041 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 67.7 mt -51.24 -52.56 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.219 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.9 mt -60.07 -56.93 15.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -46.93 -40.23 13.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.788 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -71.5 -52.99 15.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.479 ' HA ' ' CD ' ' A' ' 67' ' ' LYS . 65.6 mt -61.89 -65.35 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -43.08 -21.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.16 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' ILE . 3.5 tppp? -91.74 -50.63 5.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.061 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.479 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 7.9 ptmt -58.32 -13.89 6.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.827 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.42 ' CG ' HG12 ' A' ' 103' ' ' ILE . 46.2 m-85 -107.61 163.99 12.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.93 176.29 5.2 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.754 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -114.84 104.56 12.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.096 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.468 ' CD2' ' H ' ' A' ' 72' ' ' GLU . 4.4 t60 -93.64 173.01 7.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.468 ' H ' ' CD2' ' A' ' 71' ' ' HIS . 44.3 tt0 -106.98 109.99 22.02 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 20.7 m -110.12 172.06 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.311 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.507 ' OD1' ' N ' ' A' ' 75' ' ' VAL . 2.0 t-20 -120.73 165.34 15.24 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.916 0.389 . . . . 0.0 110.838 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.507 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 1.8 p -129.61 109.3 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.104 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.409 ' C ' ' HD3' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -156.89 146.14 20.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.889 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.74 145.56 14.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.374 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.8 mt -138.77 130.23 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.911 0.386 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.414 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -113.38 164.52 12.04 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.385 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.67 177.35 7.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 120.678 0.275 . . . . 0.0 111.242 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.576 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 10.6 m-85 -162.22 147.49 10.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.791 0.805 . . . . 0.0 110.763 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 52.5 Cg_endo -69.91 -29.65 5.63 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.797 -1.751 . . . . 0.0 112.207 0.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -156.57 160.18 30.89 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.597 0.713 . . . . 0.0 110.861 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -47.67 -61.93 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.85 2.367 . . . . 0.0 112.365 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -38.94 -36.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -134.72 89.26 2.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 78.0 t -82.14 133.38 29.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -127.79 -35.13 2.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 76.2 t -135.48 116.51 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 71.9 mt -87.15 127.71 40.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.576 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 41.5 p-90 -142.78 145.87 33.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.985 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.41 165.01 12.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.038 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.96 155.25 17.84 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.592 -0.814 . . . . 0.0 112.601 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 95' ' ' GLU . 71.3 t -110.63 148.39 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.703 0.287 . . . . 0.0 111.057 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.518 ' O ' ' C ' ' A' ' 96' ' ' ASN . 34.3 mm-40 -71.01 -176.39 1.37 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.004 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.518 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.7 p30 -27.73 113.42 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -129.99 38.15 3.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -49.54 -47.76 48.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.7 mm -58.15 -51.39 71.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.265 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.7 mt -64.45 -12.79 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.151 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.444 ' HG3' ' CD1' ' A' ' 122' ' ' PHE . 14.9 ttmt -85.61 -62.45 1.52 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -50.78 -26.26 5.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.964 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.42 HG12 ' CG ' ' A' ' 68' ' ' TYR . 91.6 mt -78.07 -51.31 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.993 0.425 . . . . 0.0 111.24 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.53 -38.13 43.02 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.268 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -65.84 -42.36 90.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.412 ' O ' ' OE1' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -61.7 -53.54 54.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.77 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 59.2 mt -48.8 -35.1 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.037 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 110' ' ' GLU . 4.2 t0 -79.99 -56.62 4.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.901 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 108' ' ' ASP . 5.7 t70 -34.14 -35.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.739 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 108' ' ' ASP . 59.6 mm-40 -83.19 -51.63 7.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 116' ' ' PHE . 59.2 mt -52.58 -44.04 65.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 111' ' ' LEU . . . -36.37 -39.73 0.2 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 113' ' ' LYS . 8.6 tmtt? -66.73 -43.42 84.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 111' ' ' LEU . 23.3 mt -67.27 -28.34 67.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.732 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 120.99 65.32 0.25 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.379 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.483 ' CD1' ' HB3' ' A' ' 111' ' ' LEU . 81.3 m-85 -137.25 154.74 50.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.839 0.352 . . . . 0.0 111.042 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -82.37 136.15 35.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -109.69 129.65 55.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -99.54 123.12 43.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.933 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.14 -67.52 2.08 Favored Glycine 0 C--N 1.329 0.177 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.393 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -87.2 133.36 33.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.444 ' CD1' ' HG3' ' A' ' 101' ' ' LYS . 2.0 t80 -99.51 133.12 44.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 5.2 t -127.79 120.24 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.243 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.79 98.69 11.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.127 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -135.23 164.64 27.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.47 HD11 ' N ' ' A' ' 126' ' ' ILE . 3.7 mp -135.89 107.41 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 90.6 m -61.26 116.66 4.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.29 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 48.8 mt -81.08 -36.34 30.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.026 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 173.09 -177.88 45.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.513 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -118.17 144.28 45.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.948 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 94.8 t -91.35 127.33 43.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.226 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -90.69 -58.33 2.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.574 ' CZ ' ' HG3' ' A' ' 30' ' ' LYS . 36.8 p90 -164.38 133.74 3.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.792 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.42 ' CG2' ' HB3' ' A' ' 29' ' ' ALA . 2.0 p -129.02 154.16 39.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.415 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 18.9 tptp -107.75 -42.84 4.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.991 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -77.44 105.34 8.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -69.83 -62.02 1.55 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 32.1 mt -44.72 -48.2 10.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.97 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -46.43 -42.97 14.18 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.332 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 93.9 mt -48.37 -60.77 2.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.784 0.326 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -68.27 -53.24 25.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.049 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 8.1 mmt -41.99 -40.7 2.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.788 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.422 ' HA ' ' CD ' ' A' ' 146' ' ' GLU . 13.8 ttmt -71.02 -38.92 72.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 62.7 mt -56.44 -40.18 74.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -64.64 -62.05 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.481 ' HG3' ' CD1' ' A' ' 147' ' ' LEU . 5.8 pt-20 -52.34 -31.41 33.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.002 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.541 HD11 ' N ' ' A' ' 147' ' ' LEU . 10.3 mp -108.33 37.83 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -105.6 -38.84 6.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.112 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -105.38 -21.45 13.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.719 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -39.97 106.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.786 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -70.42 154.55 41.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.753 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -117.25 -29.44 5.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 131.68 -163.62 23.71 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.327 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 18.3 p -144.22 168.2 20.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.052 0.453 . . . . 0.0 110.883 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -169.08 159.65 9.32 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.012 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 60.2 mt -107.28 131.94 56.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 63.0 t -73.11 100.04 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.049 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -99.63 -71.48 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -99.18 155.17 17.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.03 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 97.3 mt -116.09 146.44 20.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.067 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -128.28 139.9 52.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.146 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 12.1 tp -121.91 123.04 40.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.926 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -123.26 162.15 23.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.464 ' HB3' ' CD1' ' A' ' 177' ' ' LEU . 7.7 pttp -125.13 149.01 48.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 40.8 t -117.89 132.53 56.41 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 96.8 m -142.71 105.97 4.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 15.5 mt -75.87 132.75 40.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.033 0.444 . . . . 0.0 110.777 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 76.7 p -135.1 155.4 79.06 Favored Pre-proline 0 N--CA 1.453 -0.286 0 CA-C-O 121.419 0.628 . . . . 0.0 111.318 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.98 -32.1 17.3 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.752 2.301 . . . . 0.0 112.205 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -80.22 -26.52 39.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 151.16 173.67 21.32 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.47 -0.871 . . . . 0.0 112.447 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.59 130.66 19.95 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.559 2.173 . . . . 0.0 112.497 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 39.0 mm -102.83 129.51 54.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.986 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -131.54 107.32 8.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.021 0.439 . . . . 0.0 110.971 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -134.68 150.23 50.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.667 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 177' ' ' LEU . 29.5 m -77.51 151.32 34.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.16 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 164' ' ' LYS . 26.1 mt -115.6 -41.5 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -160.16 145.45 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.998 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 179' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 179' ' ' ARG . 0.0 OUTLIER -141.91 134.71 28.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -116.07 99.17 7.06 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 -179.868 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.49 ' CG ' ' O ' ' A' ' 1' ' ' MET . 8.0 ttt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.05 0.452 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.3 mtt85 -63.99 91.3 0.07 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.44 ' CB ' HD12 ' A' ' 49' ' ' ILE . . . -88.63 153.46 21.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.25 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -168.03 146.07 4.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.8 pt -97.65 154.6 3.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.45 160.48 43.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.455 ' CG2' HG23 ' A' ' 157' ' ' VAL . 75.8 mt -104.69 106.08 19.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.046 0.45 . . . . 0.0 111.052 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -35.45 139.75 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 m -122.32 88.79 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -43.68 161.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.431 ' HA ' ' NH1' ' A' ' 14' ' ' ARG . 11.7 pt-20 -44.27 -35.34 2.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.5 t -43.09 -37.0 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 16' ' ' ALA . 86.0 t -98.03 -60.28 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.346 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.431 ' NH1' ' HA ' ' A' ' 11' ' ' GLU . 9.3 mtm105 -41.08 -56.03 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -53.96 -33.52 57.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 13' ' ' VAL . . . -68.36 -60.19 2.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.1 mt -51.15 -43.26 61.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.25 -41.89 88.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.965 0.412 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -50.46 -43.03 55.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.43 -48.46 72.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.944 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.66 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 53.7 mt-30 -48.37 -58.51 4.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.99 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -42.45 -42.07 3.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -70.41 -49.37 49.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.6 mt -41.46 -52.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.51 129.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.353 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.6 p -104.87 51.72 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.008 0.432 . . . . 0.0 110.927 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -102.17 -36.41 8.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.472 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 30.3 mm-40 -95.92 -57.67 2.3 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.776 0.322 . . . . 0.0 110.817 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.32 133.69 41.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -81.43 111.76 18.07 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.004 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.9 mt -133.91 125.46 48.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.237 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -91.51 85.07 5.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.026 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.66 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 19.8 m-85 -56.76 173.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.8 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.6 t -118.27 153.1 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.077 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -46.05 170.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -80.04 -41.06 26.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.044 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -83.15 18.85 1.58 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.655 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -124.52 15.11 8.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.793 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -96.64 9.23 42.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -57.41 128.91 39.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.951 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.6 mt -60.18 115.33 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.245 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.5 m -69.2 89.34 0.45 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.234 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.454 ' O ' ' CE1' ' A' ' 122' ' ' PHE . 5.5 tt -49.52 -54.18 19.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.793 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.438 ' HB2' ' NZ ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -152.92 152.43 31.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.411 ' O ' ' NZ ' ' A' ' 44' ' ' LYS . 67.6 t80 -99.96 148.58 24.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.433 ' CD2' ' HD2' ' A' ' 44' ' ' LYS . 14.7 mt -116.45 -60.17 1.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.74 -138.02 13.65 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -73.87 130.45 39.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 111.02 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.44 HD12 ' CB ' ' A' ' 3' ' ' ALA . 25.2 mt -139.79 148.52 22.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.956 0.408 . . . . 0.0 111.253 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.0 p -96.97 142.8 28.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.97 0.414 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -41.72 -38.76 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.764 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -62.28 -46.43 88.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -72.24 -31.43 65.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.684 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -39.82 -33.28 0.19 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -78.84 -37.17 41.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.665 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 53' ' ' GLN . 4.7 mm-40 -59.95 -47.71 84.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.019 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -52.71 -51.6 34.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -59.09 -48.88 79.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -53.82 -55.17 28.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.764 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.9 mt -48.05 -53.12 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.995 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.0 mt -53.35 -50.14 65.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -44.04 -45.03 7.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.054 0.454 . . . . 0.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -68.83 -52.31 31.31 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.952 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 67' ' ' LYS . 81.4 mt -59.14 -65.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.155 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -42.98 -28.27 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.192 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -87.03 -35.23 18.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.562 ' HD2' ' CE2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -72.01 -16.13 62.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.808 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.562 ' CE2' ' HD2' ' A' ' 67' ' ' LYS . 49.1 m-85 -109.01 171.16 7.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.064 0.459 . . . . 0.0 110.833 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -118.91 173.95 6.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.445 ' HB2' ' CG2' ' A' ' 156' ' ' ILE . 10.2 ptpp? -98.24 111.15 23.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.856 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -99.54 169.28 9.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.009 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -105.13 99.28 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.173 0.511 . . . . 0.0 110.749 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.6 m -100.42 161.84 3.33 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.906 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -115.33 156.89 24.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.825 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.6 p -123.79 112.59 33.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.184 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.456 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 14.1 ttt180 -162.33 148.52 13.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.845 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.456 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 95.65 140.73 11.18 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.393 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 20.1 mt -140.04 126.0 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 111.061 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.09 172.82 18.44 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.577 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.5 m -138.48 163.62 28.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.891 0.377 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.7 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 11.6 m-85 -145.7 154.65 52.24 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.681 0.753 . . . . 0.0 110.703 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 53.9 Cg_endo -69.68 -17.26 11.91 Favored 'Cis proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.748 -1.772 . . . . 0.0 112.407 0.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.409 ' N ' ' ND2' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -171.27 161.09 5.27 Favored Pre-proline 0 C--O 1.233 0.201 0 CA-C-O 121.503 0.668 . . . . 0.0 110.868 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -48.28 -58.24 1.87 Allowed 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.751 2.301 . . . . 0.0 112.176 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -39.65 -40.04 0.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -134.33 94.72 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.1 t -85.24 127.2 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.222 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -124.27 -33.73 3.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.725 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 74.3 t -135.89 122.67 33.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.214 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 66.8 mt -93.46 135.61 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.7 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 37.1 p-90 -152.62 144.75 23.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.017 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.58 169.66 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.76 151.86 17.41 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 76.1 t -104.88 144.16 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.772 0.32 . . . . 0.0 111.241 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 96' ' ' ASN . 40.2 mm-40 -72.7 -176.56 2.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.042 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.495 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -30.38 100.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -119.63 42.36 2.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -45.34 -57.11 4.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.9 mm -48.51 -59.82 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.14 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.7 mt -44.03 -51.51 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -50.7 -54.5 22.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.949 0.404 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -50.6 -53.69 28.67 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.546 HG12 ' CD2' ' A' ' 68' ' ' TYR . 64.4 mt -59.65 -39.13 78.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.79 -33.74 72.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.209 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -80.58 -37.5 31.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -67.3 -43.0 82.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.56 -48.85 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.188 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 109' ' ' ASP . 12.3 t0 -70.41 -55.03 10.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.745 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 108' ' ' ASP . 0.1 OUTLIER -36.55 -48.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.973 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -67.43 -49.5 63.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 33.4 mt -58.11 -26.67 62.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.027 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.58 -22.32 3.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.057 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -83.74 -41.19 17.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 66.5 mt -67.92 -24.14 65.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.858 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 121.18 63.3 0.24 Allowed Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.312 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -138.9 146.61 41.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.929 0.395 . . . . 0.0 110.853 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -67.71 148.78 50.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -113.79 123.3 49.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.999 0.428 . . . . 0.0 110.733 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -99.55 112.44 24.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -54.08 -71.4 0.71 Allowed Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.593 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -90.72 116.22 28.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.833 0.349 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.454 ' CE1' ' O ' ' A' ' 43' ' ' LEU . 40.4 t80 -98.04 147.4 24.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.014 0.435 . . . . 0.0 110.813 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 58.0 t -135.37 128.47 48.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.129 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -85.47 102.96 13.92 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . 0.411 ' C ' HD12 ' A' ' 126' ' ' ILE . 41.7 p-80 -139.76 163.68 31.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.031 0.443 . . . . 0.0 110.801 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.525 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.6 mp -137.25 109.52 7.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.349 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 91.2 m -66.65 116.42 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.247 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.6 mt -80.7 -34.41 34.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 174.99 -176.5 47.14 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.413 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 48.8 mtt85 -122.02 146.59 47.02 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 110.769 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 68.7 t -97.47 125.03 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.997 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -93.71 -57.89 2.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -157.34 137.31 12.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.737 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' A' ' 135' ' ' LYS . 1.5 p -133.47 154.36 38.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.067 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.443 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 2.5 mptm? -104.75 -36.83 7.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.056 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -90.12 117.91 29.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.029 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -83.03 -68.23 0.72 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.899 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 31.4 mt -38.29 -56.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -39.36 -42.4 1.8 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.448 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 92.0 mt -46.76 -58.68 3.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.642 0.258 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -71.87 -59.18 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.253 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 13.6 mmt -40.93 -38.07 0.9 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.143 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -72.45 -58.37 3.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 50.7 mt -47.52 -38.1 13.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -51.93 -38.61 57.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.748 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -73.88 -41.65 61.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.646 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 147' ' ' LEU . 1.9 mp -85.89 8.29 20.81 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.987 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -87.06 -23.4 24.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -121.0 -19.61 7.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -53.11 104.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -65.21 157.17 29.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.668 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -117.49 -32.0 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 134.24 -155.59 21.95 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.6 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 32.7 p -147.02 173.28 12.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.774 0.321 . . . . 0.0 111.003 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -173.8 170.37 3.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.137 0.494 . . . . 0.0 110.616 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.445 ' CG2' ' HB2' ' A' ' 70' ' ' LYS . 58.0 mt -121.25 136.72 57.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.047 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.455 HG23 ' CG2' ' A' ' 7' ' ' ILE . 53.4 t -83.11 101.81 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 -97.73 -70.26 0.73 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.183 0.516 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 180' ' ' PHE . . . -99.0 179.35 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.058 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 66.2 mt -134.4 155.25 38.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.191 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -131.13 138.37 49.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 11.1 tp -120.23 124.9 46.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.787 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -125.01 173.21 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.726 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.57 171.33 9.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.033 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 39.2 t -144.78 121.69 11.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 88.8 m -137.08 105.04 5.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 12.2 mt -74.78 139.47 43.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 10.9 p -143.25 155.88 61.31 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.631 0.729 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -47.76 -35.52 23.94 Favored 'Trans proline' 0 CA--C 1.527 0.126 0 C-N-CA 122.685 2.256 . . . . 0.0 112.295 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -79.87 -21.94 43.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 145.44 172.82 16.14 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.38 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . 0.462 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 53.1 Cg_endo -69.7 144.13 53.35 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.855 2.37 . . . . 0.0 112.252 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 27.4 mm -116.69 123.03 71.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -118.84 126.25 51.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.828 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -147.64 147.69 30.28 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.716 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 9.1 m -80.53 142.64 33.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.022 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 19.1 mt -109.62 -36.3 5.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.927 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -155.59 144.85 20.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.034 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 -137.26 111.84 8.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.761 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . 0.423 ' O ' ' CB ' ' A' ' 159' ' ' ALA . 55.3 m-85 -100.7 97.86 8.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.793 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.843 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 tpt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.792 0.33 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -79.21 64.46 4.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.58 143.95 57.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 163' ' ' LYS . 20.7 p90 -156.39 127.45 6.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.99 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 44' ' ' LYS . 45.4 pt -85.16 142.74 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.08 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -142.96 162.04 36.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.225 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.8 mt -107.51 124.75 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.028 0.442 . . . . 0.0 111.122 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.05 138.92 24.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.891 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 10' ' ' SER . 2.8 m -116.05 90.03 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.091 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 9' ' ' VAL . 37.1 t -37.66 156.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.961 0.41 . . . . 0.0 110.734 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -47.76 -26.13 1.49 Allowed 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.788 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.7 p -56.44 -35.64 68.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 37.2 t -94.18 -46.85 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.168 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -52.19 -53.79 38.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.759 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -64.96 -23.49 67.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.48 -58.2 3.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.13 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.8 mt -58.38 -46.27 86.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.805 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.2 t -57.88 -40.8 77.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.082 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -51.08 -45.73 61.55 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.793 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.73 -44.06 97.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.279 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.69 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 51.9 mt-30 -53.05 -55.12 26.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.806 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -44.43 -38.91 4.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -77.21 -36.08 55.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.687 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.93 -60.18 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.85 166.28 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.383 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.8 m -119.84 50.83 1.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.981 0.42 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -54.78 -69.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.033 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -94.51 -34.69 12.59 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.799 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.51 162.62 18.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.508 ' HG2' ' CE2' ' A' ' 133' ' ' PHE . 57.3 tptt -124.42 93.14 3.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.8 mt -110.67 154.05 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.237 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -113.98 86.67 2.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.976 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.69 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 20.3 m-85 -58.34 167.41 1.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.097 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.0 t -116.03 154.91 17.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.847 0.356 . . . . 0.0 111.17 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -47.97 170.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -81.24 -43.22 19.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.813 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.24 13.81 1.74 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.053 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -118.32 8.62 12.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -91.95 9.81 31.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.135 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -58.33 135.19 57.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.716 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 72.6 mt -68.07 107.09 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.984 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 m -58.52 88.08 0.01 OUTLIER 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.245 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 tt -50.09 -41.24 47.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.954 0.407 . . . . 0.0 111.131 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 45' ' ' PHE . 26.6 tttm -167.62 145.34 4.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.816 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.434 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 36.6 t80 -98.9 133.67 42.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.97 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 64.4 mt -100.1 -63.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.029 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.08 -127.55 8.98 Favored Glycine 0 N--CA 1.454 -0.135 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.53 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -82.42 133.8 35.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.872 0.368 . . . . 0.0 111.074 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.438 HG23 ' N ' ' A' ' 50' ' ' THR . 51.0 mt -145.1 164.95 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 52' ' ' GLU . 55.1 p -104.75 132.24 51.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.867 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' THR . 16.1 tt0 -37.39 -30.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 50' ' ' THR . 5.6 mm-40 -75.01 -59.78 2.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 56' ' ' GLU . 34.5 mt-30 -55.05 -31.8 61.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -41.12 -51.2 3.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.004 0.431 . . . . 0.0 111.423 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -55.52 -33.29 63.64 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 53' ' ' GLN . 4.8 tp10 -62.37 -56.29 19.77 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.012 0.434 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.7 mp -40.13 -43.18 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.491 ' HE3' ' N ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -62.46 -65.43 0.69 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.842 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -37.83 -45.23 0.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.019 0.438 . . . . 0.0 110.936 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 89.9 mt -60.05 -51.5 72.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.119 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.6 -37.61 79.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -56.83 -35.47 68.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.07 -58.79 2.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.476 ' HA ' ' CD ' ' A' ' 67' ' ' LYS . 48.8 mt -47.14 -61.08 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.084 0.469 . . . . 0.0 111.062 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.55 -17.88 0.36 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -102.26 -23.76 13.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.021 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.476 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 7.8 ptmt -81.16 -6.66 59.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.523 ' CD2' HG12 ' A' ' 103' ' ' ILE . 42.5 m-85 -114.45 163.24 15.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.016 0.436 . . . . 0.0 110.951 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 tppt? -98.47 150.66 21.43 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -77.81 98.64 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.735 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -97.34 155.52 16.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.004 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -105.74 115.41 30.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.6 m -111.15 165.1 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.625 HD21 ' N ' ' A' ' 75' ' ' VAL . 0.4 OUTLIER -116.22 155.52 28.17 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.895 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.625 ' N ' HD21 ' A' ' 74' ' ' ASN . 3.8 p -119.26 105.29 17.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.231 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.495 ' NH2' ' CG ' ' A' ' 151' ' ' ASP . 16.1 ttm105 -150.94 146.78 26.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.043 0.449 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.74 147.55 22.69 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.4 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 79' ' ' GLY . 26.9 mt -138.58 134.53 43.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 120.865 0.365 . . . . 0.0 111.005 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.485 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -113.14 152.03 18.11 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.392 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.7 m -122.06 176.11 4.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.897 0.38 . . . . 0.0 111.18 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.744 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 11.5 m-85 -160.73 151.76 15.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.493 0.663 . . . . 0.0 110.769 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.4 Cg_endo -69.43 -21.22 10.03 Favored 'Cis proline' 0 C--O 1.233 0.227 0 C-N-CA 122.634 -1.819 . . . . 0.0 112.483 -0.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.45 ' CG ' ' C ' ' A' ' 82' ' ' PRO . 0.4 OUTLIER -164.39 160.63 16.09 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.594 0.712 . . . . 0.0 110.97 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -47.91 -60.03 1.03 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.658 2.239 . . . . 0.0 112.429 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -41.48 -37.38 1.06 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -133.33 97.0 3.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.141 0.496 . . . . 0.0 110.844 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.5 t -89.05 129.44 40.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.344 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -124.6 -34.82 2.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 85.1 t -134.82 116.66 21.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.071 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 69.8 mt -88.45 129.5 39.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.007 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.744 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 26.6 p-90 -145.59 144.04 30.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.945 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.14 161.98 15.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.07 143.77 15.03 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.445 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.416 ' CG1' ' OD2' ' A' ' 97' ' ' ASP . 88.6 t -102.35 151.05 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.956 0.408 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.487 ' O ' ' C ' ' A' ' 96' ' ' ASN . 4.3 mm-40 -71.27 -176.55 1.5 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.763 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.487 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.1 t30 -31.14 113.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.84 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.416 ' OD2' ' CG1' ' A' ' 94' ' ' VAL . 63.4 m-20 -121.22 30.9 6.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.705 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 97' ' ' ASP . 5.0 tp10 -35.8 -60.62 0.52 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 100' ' ' ILE . 10.7 mm -48.52 -71.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.071 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 99' ' ' ILE . 71.8 mt -33.95 -61.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.17 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -39.84 -48.75 2.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.066 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -54.35 -52.78 60.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.768 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.523 HG12 ' CD2' ' A' ' 68' ' ' TYR . 83.9 mt -58.91 -45.16 91.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.078 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.15 -31.57 63.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.14 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -85.11 -39.25 18.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.818 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.98 -43.17 99.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.82 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 63.3 mt -59.03 -45.64 92.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.017 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -71.45 -43.05 67.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -47.02 -32.84 4.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -86.84 -44.22 11.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.498 ' HB3' ' CG ' ' A' ' 116' ' ' PHE . 48.9 mt -60.89 -28.11 68.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.38 -33.41 5.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.239 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 113' ' ' LYS . 0.7 OUTLIER -79.24 -36.97 39.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.763 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 23.1 mt -70.43 -16.8 62.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.888 0.375 . . . . 0.0 111.018 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 115.59 54.98 0.36 Allowed Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.498 ' CG ' ' HB3' ' A' ' 111' ' ' LEU . 40.1 m-85 -136.5 171.48 14.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.027 0.442 . . . . 0.0 110.876 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -127.13 141.11 51.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -106.96 150.03 26.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.886 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 120' ' ' GLY . 6.5 tt0 -99.61 122.94 43.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.852 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 119' ' ' GLU . . . -38.36 -70.48 0.29 Allowed Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.353 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -99.29 128.23 45.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.095 0.474 . . . . 0.0 111.092 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -100.12 141.75 32.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 11.2 t -125.82 124.46 66.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.031 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.12 96.05 10.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -137.82 167.88 20.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.408 ' CD1' ' N ' ' A' ' 126' ' ' ILE . 1.3 mp -137.23 104.81 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.262 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 90.3 m -59.66 122.99 15.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.044 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 77.5 mt -88.48 -28.24 20.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 168.36 -175.94 42.9 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.386 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -125.6 145.22 50.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.987 0.422 . . . . 0.0 110.933 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.9 t -92.73 122.01 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.072 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -91.69 -54.79 3.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.801 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.508 ' CE2' ' HG2' ' A' ' 30' ' ' LYS . 26.6 p90 -157.01 129.65 7.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.424 ' CG2' ' N ' ' A' ' 135' ' ' LYS . 1.9 p -131.69 154.02 39.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.188 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.424 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 29.9 tptt -114.82 -40.31 3.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -79.45 88.02 5.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -61.74 -60.73 3.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.78 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 32.3 mt -44.98 -49.21 11.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.858 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -46.76 -45.13 18.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.657 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 84.4 mt -47.35 -63.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.63 -60.01 3.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.035 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.7 mmt -39.86 -35.8 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.781 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -71.56 -53.46 13.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.809 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 77.3 mt -40.67 -62.22 0.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.878 0.37 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -39.11 -41.29 0.8 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.973 0.416 . . . . 0.0 111.058 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -67.97 -45.72 73.38 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 4.8 mp -101.05 35.49 2.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -97.57 -35.85 10.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.224 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 150' ' ' GLU . 62.4 m-80 -110.69 -23.96 10.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.847 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 149' ' ' ASN . 6.7 tp10 -35.55 115.4 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . 0.495 ' CG ' ' NH2' ' A' ' 76' ' ' ARG . 27.8 t70 -76.19 155.43 34.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -117.23 -40.02 3.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.067 0.46 . . . . 0.0 110.973 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 139.78 -172.49 23.33 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.579 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 p -138.03 164.61 28.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.637 0.256 . . . . 0.0 110.851 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -169.77 178.84 3.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.674 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 87.3 mt -120.58 137.52 54.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.049 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 72.0 t -86.01 91.16 3.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -97.78 -70.71 0.71 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -85.93 143.54 28.14 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 97.3 mt -115.16 150.38 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.938 0.399 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.429 ' CG ' ' HG3' ' A' ' 179' ' ' ARG . 3.2 mt-10 -132.9 138.59 47.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.987 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 14.7 tp -119.75 115.15 23.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.022 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . 0.55 ' HB3' ' CZ ' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -113.71 140.98 47.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.437 ' HB3' ' CD1' ' A' ' 177' ' ' LEU . 10.1 pttt -113.04 148.94 34.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.015 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 10.4 p -119.47 135.7 54.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.928 0.394 . . . . 0.0 110.946 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 26.2 m -144.43 105.21 4.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.338 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 12.0 mt -73.55 132.53 42.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.937 0.399 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 71.0 p -133.48 155.25 80.85 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.668 0.747 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -47.69 -31.99 15.64 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.788 2.326 . . . . 0.0 112.231 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -80.2 -31.42 38.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.929 0.395 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 155.96 176.12 27.73 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.582 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.88 141.64 45.27 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 34.1 mm -118.49 115.29 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -118.56 102.7 9.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.762 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 176' ' ' THR . 4.1 tp10 -131.49 155.25 47.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.135 0.493 . . . . 0.0 110.723 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' THR . . . . . 0.461 ' N ' ' HG3' ' A' ' 175' ' ' GLU . 6.2 m -87.07 140.55 29.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.15 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 164' ' ' LYS . 78.2 mt -103.23 -43.2 5.52 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.719 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -138.53 142.51 39.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.114 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 179' ' ' ARG . . . . . 0.429 ' HG3' ' CG ' ' A' ' 161' ' ' GLU . 39.8 ttp180 -141.07 107.27 5.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.763 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -99.82 97.74 8.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.829 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.871 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.722 0.296 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 34.5 ttm-85 -88.96 76.21 7.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.85 151.67 25.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.075 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.413 ' CD1' ' O ' ' A' ' 4' ' ' PHE . 28.7 p90 -168.81 135.62 1.86 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.791 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 36.1 pt -85.04 147.42 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.135 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -140.1 163.22 33.29 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.148 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.0 mt -105.97 125.16 61.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.186 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.24 137.61 13.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.049 0.452 . . . . 0.0 110.677 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 10' ' ' SER . 2.8 m -117.15 85.87 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 9' ' ' VAL . 3.1 t -36.43 154.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.45 ' C ' ' OE1' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -42.39 -41.35 2.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.5 p -40.48 -41.67 1.47 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.736 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.484 HG22 ' CE1' ' A' ' 155' ' ' PHE . 76.2 t -85.22 -51.0 14.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.16 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -47.91 -66.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.708 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -48.64 -39.58 24.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.74 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.94 -62.16 2.05 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 120.992 0.425 . . . . 0.0 111.194 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.9 mt -51.86 -42.75 62.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.994 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.2 t -61.6 -40.59 87.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.203 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -52.4 -51.67 57.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.62 -52.01 63.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.117 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.615 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 42.8 mt-30 -45.53 -56.6 4.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -42.18 -43.68 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -72.82 -35.66 67.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.748 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.0 mt -61.57 -48.65 87.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.16 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.54 153.03 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.436 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.2 m -120.31 46.3 2.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.801 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.62 -55.61 3.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.462 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 2.0 pm0 -82.55 -44.09 16.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.018 0.437 . . . . 0.0 111.054 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.462 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -99.97 144.85 28.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.437 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 0.0 OUTLIER -96.56 87.29 4.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.734 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 45.5 mt -114.52 125.66 71.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -94.99 94.31 7.91 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.981 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.615 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 19.5 m-85 -59.63 176.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.578 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 21.2 t -120.18 149.58 22.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.467 ' N ' HG12 ' A' ' 34' ' ' VAL . 10.4 mm-40 -43.07 160.22 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.435 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 61.8 mtt180 -71.46 -39.53 70.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -84.68 19.52 2.0 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.025 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.441 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 2.5 m-80 -125.19 12.52 8.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 28.2 m-85 -93.72 7.36 45.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.01 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.441 ' CE1' ' HA ' ' A' ' 38' ' ' ASN . 2.6 p-80 -56.95 126.53 27.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.933 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 70.1 mt -57.21 120.06 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.293 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.2 m -73.57 90.07 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -47.59 -62.3 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 45' ' ' PHE . 34.5 tttp -142.93 149.03 37.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.448 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 51.9 t80 -96.2 136.41 36.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.062 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.2 mt -107.14 -57.67 2.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.828 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.51 -135.93 12.43 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.652 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -71.02 130.26 41.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.84 0.353 . . . . 0.0 111.082 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 17.9 mt -150.25 147.49 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 74.1 p -99.8 142.67 30.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -50.12 -28.99 8.13 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.744 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -70.31 -36.4 74.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -85.99 -28.84 23.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.15 -57.94 3.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.035 0.445 . . . . 0.0 111.203 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -44.35 -36.43 2.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.408 ' OE2' ' CD1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -58.98 -63.19 1.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.878 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' LYS . 3.2 mp -37.32 -60.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 57' ' ' ILE . 87.4 mttt -33.9 -69.67 0.09 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.066 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -42.64 -54.65 3.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.909 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.408 ' CD1' ' OE2' ' A' ' 56' ' ' GLU . 76.5 mt -43.89 -44.97 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.045 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.2 mt -71.13 -42.88 68.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.986 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -45.89 -57.25 4.5 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.447 ' NZ ' ' HB3' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -64.54 -45.88 85.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 66' ' ' LYS . 59.8 mt -58.73 -71.25 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -41.98 -24.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 64' ' ' ILE . 16.6 tppt? -82.04 -52.19 7.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -61.54 -12.32 14.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.007 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.525 ' CG ' HG12 ' A' ' 103' ' ' ILE . 52.2 m-85 -108.11 159.85 16.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.97 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.9 -178.39 3.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.049 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.7 pttm -118.51 112.76 20.33 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.859 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -96.79 174.46 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.981 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -108.22 100.65 9.94 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.8 m -103.32 171.08 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.431 ' CG ' ' N ' ' A' ' 75' ' ' VAL . 9.3 t-20 -124.48 166.29 16.27 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.431 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 1.4 p -125.74 92.56 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -139.92 133.65 30.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.48 142.33 9.58 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.447 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.3 mt -136.03 142.01 40.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.851 0.358 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.95 163.88 16.15 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.442 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.63 161.27 41.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.803 0.335 . . . . 0.0 111.23 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.692 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 13.1 m-85 -144.5 147.59 36.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.596 0.713 . . . . 0.0 110.801 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.1 Cg_endo -69.72 -35.28 2.75 Favored 'Cis proline' 0 C--N 1.34 0.101 0 C-N-CA 122.803 -1.749 . . . . 0.0 112.307 0.032 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -152.5 158.86 33.25 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.718 0.77 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -47.92 -52.17 8.66 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.61 2.207 . . . . 0.0 112.306 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -43.12 -40.71 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.818 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -133.4 82.37 1.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.126 0.489 . . . . 0.0 110.931 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 82.9 t -74.88 128.97 37.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -122.28 -37.97 2.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.5 t -132.46 119.42 38.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.983 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 67.9 mt -87.19 129.22 39.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.331 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.692 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 40.4 p-90 -145.57 142.89 29.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.67 165.91 12.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -125.4 149.97 17.24 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.589 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.446 HG11 ' N ' ' A' ' 95' ' ' GLU . 96.6 t -109.12 145.12 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.026 0.441 . . . . 0.0 110.884 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.521 ' O ' ' C ' ' A' ' 96' ' ' ASN . 3.9 pt-20 -71.93 -175.84 1.55 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.727 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.521 ' C ' ' O ' ' A' ' 95' ' ' GLU . 2.2 t30 -27.58 103.48 0.02 OUTLIER 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.946 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -118.69 43.82 2.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.81 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -45.67 -66.18 0.44 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.778 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 41.0 mm -43.56 -65.25 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.6 mt -47.75 -30.37 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.244 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.5 ttpp -74.11 -65.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.42 -41.44 6.22 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.0 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.525 HG12 ' CG ' ' A' ' 68' ' ' TYR . 72.0 mt -65.28 -46.24 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.029 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.86 -41.75 64.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.989 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -68.79 -38.28 79.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -63.88 -46.72 83.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 41.2 mt -55.26 -38.69 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.428 ' OD2' ' NZ ' ' A' ' 44' ' ' LYS . 10.0 t0 -77.92 -34.73 51.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.935 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -47.46 -45.65 26.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.974 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -75.99 -51.83 11.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.049 0.452 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 114' ' ' LEU . 25.0 mt -47.39 -41.49 20.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.04 -36.07 0.44 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.014 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -71.09 -37.95 72.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 111' ' ' LEU . 39.4 mt -70.09 -28.12 65.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 119.27 56.64 0.26 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.428 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -122.93 168.09 12.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.974 0.416 . . . . 0.0 110.842 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -93.24 142.61 27.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -108.81 131.35 55.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.968 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -99.82 127.32 45.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -54.63 -69.02 1.38 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.533 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.14 139.54 33.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.794 0.33 . . . . 0.0 110.95 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.566 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 1.0 OUTLIER -98.98 138.49 36.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.003 179.777 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 18.2 t -132.26 122.01 47.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.218 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.25 99.91 11.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.094 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . 0.409 ' C ' HD13 ' A' ' 126' ' ' ILE . 3.8 p-80 -135.2 164.9 26.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.98 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.488 ' N ' HD13 ' A' ' 126' ' ' ILE . 2.5 mp -134.6 109.66 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.388 . . . . 0.0 111.122 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 88.0 m -66.95 113.88 5.32 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.018 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 65.4 mt -79.6 -36.82 37.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 174.08 169.03 35.79 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.466 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -108.05 152.71 24.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.795 0.331 . . . . 0.0 110.775 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 60.9 t -101.92 114.21 40.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -80.85 -54.56 5.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.803 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.437 ' CE2' ' HG3' ' A' ' 30' ' ' LYS . 7.0 p90 -161.31 138.9 9.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.455 ' CG2' ' N ' ' A' ' 135' ' ' LYS . 2.7 p -136.73 158.12 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.19 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.455 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 31.9 mmtt -112.05 -45.44 3.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.822 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -71.46 112.33 7.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.044 0.45 . . . . 0.0 110.811 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -75.52 -58.67 3.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.077 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.427 ' C ' ' HG3' ' A' ' 142' ' ' MET . 25.0 mt -48.68 -54.54 14.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.704 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 138' ' ' LEU . . . -37.79 -39.36 0.6 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.627 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 58.7 mt -53.68 -50.83 64.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 143' ' ' LYS . . . -81.06 -56.0 4.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.96 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.427 ' HG3' ' C ' ' A' ' 138' ' ' LEU . 2.1 mtt -39.99 -28.64 0.06 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.061 0.458 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 141' ' ' ALA . 6.8 ttmt -83.82 -53.78 5.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.993 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 148' ' ' ALA . 46.6 mt -40.82 -47.59 2.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.987 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -41.17 69.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.671 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -75.44 -31.71 60.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.2 mp -112.56 32.72 5.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.027 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 144' ' ' LEU . . . -86.92 -46.27 10.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.31 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -134.03 27.98 3.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.763 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.597 ' OE2' ' CE2' ' A' ' 152' ' ' PHE . 0.0 OUTLIER -61.26 142.86 56.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -85.26 144.88 27.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . 0.597 ' CE2' ' OE2' ' A' ' 150' ' ' GLU . 42.8 m-85 -125.89 -32.83 2.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . 0.411 ' O ' ' ND2' ' A' ' 74' ' ' ASN . . . 137.08 -173.55 22.13 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.548 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 32.1 p -138.44 166.16 24.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.789 0.328 . . . . 0.0 111.035 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . 0.484 ' CE1' HG22 ' A' ' 13' ' ' VAL . 53.8 p90 -166.25 166.29 16.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.767 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 92.3 mt -113.36 120.96 64.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 96.1 t -68.11 94.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -90.85 -72.67 0.56 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.108 0.48 . . . . 0.0 110.8 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -97.31 166.81 11.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . 0.462 ' CG2' ' N ' ' A' ' 161' ' ' GLU . 97.1 mt -116.43 158.84 16.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.462 ' N ' ' CG2' ' A' ' 160' ' ' ILE . 0.7 OUTLIER -141.79 125.39 16.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.927 179.868 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 17.8 tp -108.0 131.27 54.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.037 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -122.38 154.85 37.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.843 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -117.84 129.57 55.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.904 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 28.7 t -113.61 126.72 55.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.105 0.478 . . . . 0.0 110.772 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 79.8 m -134.23 105.29 6.56 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.179 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 10.1 mt -70.34 134.46 47.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 68.4 p -139.76 155.41 71.33 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.697 0.761 . . . . 0.0 111.089 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -48.24 -31.75 17.77 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.613 2.208 . . . . 0.0 112.447 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -27.75 38.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.977 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 152.95 174.07 22.96 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.554 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.9 127.78 14.97 Favored 'Trans proline' 0 C--N 1.34 0.118 0 C-N-CA 122.532 2.154 . . . . 0.0 112.496 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 28.4 mm -99.08 143.05 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.986 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -140.89 130.2 23.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.805 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -157.37 139.29 14.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.784 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 96.5 m -70.69 147.25 49.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.01 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 20.9 mt -114.68 -40.31 3.59 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -142.97 145.43 32.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.121 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 18.7 mtt-85 -137.68 105.84 5.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.001 0.429 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -103.47 97.83 7.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 . . . . . 0 C--O 1.233 0.235 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.023 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ptt? . . . . . 0 C--O 1.234 0.251 0 CA-C-O 120.764 0.316 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 2' ' ' ARG . 3.6 ptm180 -97.33 83.78 3.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.805 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.431 ' HB2' ' CD1' ' A' ' 46' ' ' LEU . . . -72.41 151.64 42.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.197 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -162.16 143.16 10.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.1 pt -104.0 140.15 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.999 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.442 ' CB ' ' HB2' ' A' ' 40' ' ' HIS . . . -136.38 171.23 14.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.978 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.1 mt -107.08 116.61 51.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.045 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.01 129.88 4.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.823 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.7 m -108.4 91.0 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.059 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.8 t -43.98 167.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.815 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -51.36 -42.93 61.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.2 p -43.55 -30.17 0.56 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.1 t -97.75 -50.57 11.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -48.6 -54.44 14.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.784 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -65.11 -34.88 79.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.968 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.8 -65.99 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 69.5 mt -53.97 -50.31 66.82 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.96 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.3 t -51.31 -43.07 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.151 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -49.19 -45.37 44.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.03 -48.99 77.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.21 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.637 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 59.6 mt-30 -45.38 -58.68 3.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.031 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -40.69 -35.5 0.49 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.038 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -80.32 -44.44 19.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.059 0.457 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.0 mt -51.69 -67.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.281 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.87 168.92 6.92 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.5 t -130.16 47.17 2.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -75.12 -62.69 1.47 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.457 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 2.9 pm0 -87.13 -39.43 15.55 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.457 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -100.95 152.14 20.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.423 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 24.8 mmmt -108.63 109.65 20.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.847 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.415 HD13 ' CD1' ' A' ' 90' ' ' ILE . 37.1 mt -134.12 126.46 49.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -90.29 98.66 11.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.925 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.637 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 18.4 m-85 -60.56 -179.07 0.11 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.995 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.537 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 49.2 t -129.66 140.15 49.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 34' ' ' VAL . 50.1 mm-40 -36.35 154.22 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.465 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 79.1 mtt180 -66.56 -46.24 76.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -76.13 7.79 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.015 0.436 . . . . 0.0 110.994 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.484 ' N ' HD21 ' A' ' 38' ' ' ASN . 1.4 m-80 -111.73 6.51 19.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.823 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.537 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 20.4 m-85 -86.62 7.37 26.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.994 0.426 . . . . 0.0 110.996 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.442 ' HB2' ' CB ' ' A' ' 6' ' ' ALA . 2.5 p-80 -51.9 132.3 31.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.734 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.7 mt -70.24 113.84 6.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.215 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.1 m -64.92 101.73 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.285 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.0 tt -76.54 -48.52 19.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.5 ' NZ ' ' CG2' ' A' ' 107' ' ' ILE . 0.0 OUTLIER -150.91 134.77 16.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.797 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -99.22 150.87 21.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.431 HD23 ' CD ' ' A' ' 44' ' ' LYS . 14.2 mt -117.08 -63.37 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.002 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.85 -138.99 14.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.505 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.421 ' C ' HG13 ' A' ' 49' ' ' ILE . 29.7 tt0 -66.63 127.23 31.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.965 0.412 . . . . 0.0 110.848 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.422 HD11 ' CB ' ' A' ' 46' ' ' LEU . 10.0 mt -152.49 147.8 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.4 p -94.73 143.49 26.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -42.83 -27.04 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -82.26 -50.73 8.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.705 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.403 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 15.1 mm100 -62.79 -29.04 70.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.01 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.55 -61.03 1.7 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.975 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -52.07 -35.81 48.65 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -51.54 -35.06 39.24 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.471 HG13 ' CD2' ' A' ' 111' ' ' LEU . 4.3 mp -80.18 -56.94 5.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.186 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' ILE . 81.5 mttt -36.27 -60.2 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -45.33 -43.42 10.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 57' ' ' ILE . 56.9 mt -58.08 -38.73 69.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.07 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 27.4 mt -70.3 -33.58 71.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -55.87 -54.34 45.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -61.02 -50.7 72.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.981 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.465 ' CD1' ' HA ' ' A' ' 107' ' ' ILE . 19.5 mt -57.57 -66.66 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.146 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -44.74 -20.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 64' ' ' ILE . 6.5 ttmt -88.58 -46.56 8.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -65.55 -11.85 47.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.972 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.542 ' CD2' HG12 ' A' ' 103' ' ' ILE . 43.5 m-85 -106.61 162.99 13.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.99 173.79 6.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.987 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -85.32 110.34 19.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.465 ' CD2' ' H ' ' A' ' 72' ' ' GLU . 10.9 t-160 -98.78 163.47 12.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.838 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.465 ' H ' ' CD2' ' A' ' 71' ' ' HIS . 24.5 tt0 -114.21 110.05 19.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.018 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.4 m -115.82 169.26 6.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.056 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -121.33 161.79 21.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.9 p -123.8 106.96 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -156.7 147.76 22.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.907 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.84 145.67 19.05 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 50.3 mt -142.63 137.29 28.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 111.209 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -118.57 168.35 13.2 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.9 m -136.0 164.85 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.018 0.437 . . . . 0.0 111.08 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.568 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 11.8 m-85 -149.22 153.27 37.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.722 0.773 . . . . 0.0 110.888 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.9 Cg_endo -69.86 -21.61 10.22 Favored 'Cis proline' 0 C--N 1.344 0.324 0 C-N-CA 122.598 -1.834 . . . . 0.0 112.435 0.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.447 ' CG ' ' C ' ' A' ' 82' ' ' PRO . 0.3 OUTLIER -163.36 159.37 18.04 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.701 0.762 . . . . 0.0 110.901 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.73 -64.33 0.25 Allowed 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.702 2.268 . . . . 0.0 112.409 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -39.33 -36.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.041 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -131.5 91.38 3.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 71.7 t -82.55 134.53 26.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.217 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -128.68 -38.29 1.71 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.762 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 89.3 t -135.97 119.27 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.415 ' CD1' HD13 ' A' ' 31' ' ' ILE . 64.8 mt -88.09 128.07 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.974 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.568 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 49.2 p-90 -144.89 143.62 30.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.959 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.53 166.32 12.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.076 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.2 147.93 16.66 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.519 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.8 t -99.55 142.79 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.937 0.398 . . . . 0.0 111.092 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.504 ' O ' ' C ' ' A' ' 96' ' ' ASN . 15.2 mt-10 -70.87 -176.35 1.32 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.504 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.3 p-10 -30.0 100.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -124.87 50.4 1.75 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -54.34 -62.99 1.3 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 29.1 mm -42.48 -56.46 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.991 0.424 . . . . 0.0 111.249 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 82.0 mt -50.74 -35.39 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.018 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -68.93 -60.45 2.36 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.984 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -51.61 -39.9 58.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.068 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.542 HG12 ' CD2' ' A' ' 68' ' ' TYR . 60.1 mt -66.36 -50.3 68.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.019 0.437 . . . . 0.0 111.144 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.25 -45.94 72.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.122 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -61.98 -47.97 82.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -65.04 -25.33 67.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.005 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.5 ' CG2' ' NZ ' ' A' ' 44' ' ' LYS . 62.1 mt -75.57 -44.48 40.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.239 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -76.7 -32.64 58.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.825 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -53.75 -43.94 69.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.027 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -67.91 -47.87 67.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 114' ' ' LEU . 33.7 mt -56.33 -40.33 74.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -38.52 -35.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.961 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -70.89 -42.8 69.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.737 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 111' ' ' LEU . 28.7 mt -64.95 -19.07 65.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.97 0.414 . . . . 0.0 111.064 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 108.3 55.75 0.59 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.58 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -124.53 170.96 10.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.002 0.429 . . . . 0.0 110.784 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -85.71 147.8 26.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.051 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -119.16 127.22 53.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -97.89 107.14 19.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -46.33 -76.72 0.12 Allowed Glycine 0 C--O 1.228 -0.252 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.459 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.71 113.38 24.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.669 0.271 . . . . 0.0 111.057 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -89.29 145.44 25.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.022 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 62.3 t -142.35 115.87 4.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.266 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.84 107.41 9.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.157 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -141.4 166.84 23.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.54 HD11 ' N ' ' A' ' 126' ' ' ILE . 1.7 mp -138.49 107.92 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.011 0.434 . . . . 0.0 111.164 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 84.3 m -66.57 118.89 10.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.048 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 74.1 mt -83.32 -30.71 27.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.083 0.468 . . . . 0.0 111.055 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 165.52 161.27 14.15 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -97.74 155.41 17.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.076 0.465 . . . . 0.0 110.746 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 94.7 t -101.52 124.26 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -84.27 -60.18 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.771 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.494 ' O ' ' CD1' ' A' ' 133' ' ' PHE . 4.7 p90 -164.01 132.01 3.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.038 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.401 ' CG2' ' N ' ' A' ' 135' ' ' LYS . 1.8 p -127.18 153.13 36.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.092 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.401 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 54.2 tttm -107.51 -42.0 4.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -85.31 96.33 9.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 138' ' ' LEU . 35.7 mttp -64.62 -67.37 0.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 137' ' ' LYS . 48.6 mt -34.91 -45.07 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.815 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -48.63 -47.08 30.29 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.495 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 48.9 mt -49.43 -60.34 2.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.765 0.317 . . . . 0.0 110.821 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.84 -60.98 2.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.109 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 7.6 mmt -40.38 -32.31 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -81.55 -52.02 7.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.974 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 58.6 mt -40.78 -48.72 3.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.187 0.517 . . . . 0.0 110.921 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -49.47 -43.77 45.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.85 -38.68 91.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.755 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.5 mp -100.31 33.84 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.009 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -96.64 -39.83 9.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.186 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 150' ' ' GLU . 70.9 m-20 -110.01 -26.71 9.58 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 149' ' ' ASN . 3.5 tp10 -34.67 110.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.102 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 153' ' ' GLY . 7.8 t70 -73.3 152.47 40.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -115.6 -29.94 6.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.799 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' A' ' 151' ' ' ASP . . . 132.99 -165.54 23.93 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.421 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 14.9 p -146.86 167.02 24.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 0.0 110.945 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -164.67 165.52 20.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.711 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 49.0 mt -111.66 127.83 68.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.073 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 47.5 t -71.21 104.2 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -100.21 -72.17 0.68 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.991 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -101.46 171.47 7.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.072 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 95.8 mt -121.31 145.37 27.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.078 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -120.06 127.02 52.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 33.0 tp -114.13 105.53 13.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -111.59 161.29 16.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.125 0.488 . . . . 0.0 110.86 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 165' ' ' SER . 2.2 tmmm? -133.13 152.44 51.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.737 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.546 ' OG ' ' CE1' ' A' ' 174' ' ' TYR . 1.4 m -116.7 142.55 46.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.794 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 65.8 m -134.88 98.81 4.12 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.29 131.04 45.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 30.5 p -138.37 155.6 73.88 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.244 0.545 . . . . 0.0 111.339 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -48.09 -33.75 21.78 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.85 2.367 . . . . 0.0 112.206 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -22.99 42.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.012 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 146.79 172.02 16.65 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.286 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.78 130.48 19.39 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.586 2.191 . . . . 0.0 112.398 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 32.6 mm -105.04 142.39 18.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.025 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . 0.546 ' CE1' ' OG ' ' A' ' 165' ' ' SER . 4.6 m-85 -127.54 120.98 29.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.107 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -143.45 151.7 40.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.834 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 21.2 m -86.18 148.25 25.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 19.9 mt -116.06 -45.96 2.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -141.45 137.96 32.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.015 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.54 109.76 11.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.843 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 180' ' ' PHE . 2.2 m-85 -93.27 97.57 10.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.772 -179.853 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ptt? . . . . . 0 C--O 1.234 0.272 0 CA-C-O 120.516 0.198 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.441 ' CG ' ' HB3' ' A' ' 165' ' ' SER . 10.1 ptp180 -98.26 86.59 3.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.744 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.419 ' HB1' ' CD1' ' A' ' 49' ' ' ILE . . . -78.89 160.65 27.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.958 0.409 . . . . 0.0 111.043 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -170.65 143.61 2.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.679 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.2 pt -95.95 138.23 21.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.328 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -137.45 163.28 31.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.276 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.5 mt -104.16 125.24 58.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -49.33 144.48 5.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.955 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.8 m -118.5 90.18 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.23 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 m -38.34 154.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 12' ' ' SER . 6.5 mm-40 -42.86 -52.25 5.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.718 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 11' ' ' GLU . 13.9 t -34.52 -49.5 0.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.037 0.446 . . . . 0.0 110.693 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.2 t -75.62 -53.78 15.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.028 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -43.11 -54.33 4.45 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -68.83 -31.98 71.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.3 -55.24 36.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.052 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.512 HD23 ' CE1' ' A' ' 152' ' ' PHE . 84.7 mt -63.49 -49.55 73.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.75 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.6 t -55.13 -40.74 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.262 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -49.68 -46.03 49.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.17 -50.51 71.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.687 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 50.8 mt-30 -46.29 -55.51 7.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.999 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.71 -47.28 10.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.725 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -66.13 -37.56 85.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.948 0.404 . . . . 0.0 110.974 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.454 HD12 ' CD2' ' A' ' 147' ' ' LEU . 86.1 mt -63.17 -60.7 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.091 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.34 173.76 8.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.382 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.7 p -134.46 48.28 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.357 . . . . 0.0 110.915 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -74.23 -57.45 3.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.0 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.04 -42.22 10.64 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.753 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.29 147.57 25.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.429 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 6.0 tmtm? -103.09 103.2 13.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.986 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 34.1 mt -123.5 119.4 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.081 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -87.57 81.78 7.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.737 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.687 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 16.6 m-85 -56.26 173.31 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.601 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 85.0 t -105.05 145.73 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -49.13 176.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.51 ' HA ' ' CD2' ' A' ' 39' ' ' PHE . 46.1 mtt180 -82.2 -41.13 20.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -81.93 18.49 1.3 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.815 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.462 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -135.05 22.81 3.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.869 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.601 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 11.3 m-85 -96.24 10.69 37.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -56.26 149.91 15.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.713 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.1 mt -86.84 112.43 23.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.204 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.0 m -64.79 97.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.056 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.432 HD22 ' C ' ' A' ' 43' ' ' LEU . 5.4 tt -68.44 -46.64 69.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.465 ' CE ' HG23 ' A' ' 107' ' ' ILE . 0.2 OUTLIER -157.17 129.91 7.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.879 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -93.2 139.72 30.3 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.787 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.424 HD23 ' NZ ' ' A' ' 44' ' ' LYS . 81.4 mt -103.63 -63.08 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.957 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.37 -132.39 11.01 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.503 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.33 120.17 12.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.94 0.4 . . . . 0.0 110.949 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.419 ' CD1' ' HB1' ' A' ' 3' ' ' ALA . 26.1 mt -137.78 152.6 26.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.142 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 51' ' ' GLU . 21.3 p -105.18 138.85 40.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 50' ' ' THR . 5.2 mp0 -34.08 -37.96 0.05 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.988 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' THR . 21.3 mt-10 -69.81 -66.32 0.61 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 56' ' ' GLU . 79.6 mm-40 -43.19 -39.51 2.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.07 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -39.22 -61.93 0.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.02 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 56' ' ' GLU . 2.8 pt-20 -56.62 -26.83 56.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.762 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 53' ' ' GLN . 6.5 tp10 -61.39 -55.95 25.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 58' ' ' LYS . 4.1 mp -54.92 -59.79 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.1 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.446 ' HE2' ' CB ' ' A' ' 178' ' ' ALA . 8.3 mtpm? -35.97 -56.84 0.71 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.204 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -45.43 -50.11 12.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 57.7 mt -59.08 -51.53 71.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.169 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.0 mt -51.11 -30.77 17.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.892 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -74.73 -32.2 62.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.788 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 45.7 mttt -78.3 -28.84 47.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.77 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.476 ' HA ' ' CD ' ' A' ' 67' ' ' LYS . 90.2 mt -87.67 -54.95 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.31 -20.25 0.37 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.005 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.48 -25.96 14.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.816 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.476 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 1.5 ptmt -78.77 -18.67 53.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.433 ' CD2' HG12 ' A' ' 103' ' ' ILE . 39.7 m-85 -106.99 157.5 17.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.76 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -99.46 175.05 5.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.012 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.463 ' HB3' ' CG2' ' A' ' 156' ' ' ILE . 7.5 mptt -97.71 108.75 21.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.862 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -98.6 164.4 12.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -107.35 123.13 47.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.2 m -128.28 165.51 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 153' ' ' GLY . 9.2 t-20 -118.64 162.79 17.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.911 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.5 p -124.03 112.05 31.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.468 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 17.9 ttp180 -157.19 150.82 24.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.725 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.468 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 94.28 151.04 27.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.648 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.8 mt -142.58 129.41 18.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.695 0.283 . . . . 0.0 111.272 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.536 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -107.32 156.19 16.03 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.591 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.9 m -126.26 163.0 29.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.819 0.342 . . . . 0.0 111.265 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.565 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 10.2 m-85 -149.52 152.0 34.41 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.674 0.749 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 53.1 Cg_endo -69.92 -20.07 11.11 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.28 0.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -168.4 162.94 8.66 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.602 0.715 . . . . 0.0 110.957 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -47.83 -62.04 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.749 2.299 . . . . 0.0 112.248 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' A' ' 86' ' ' TYR . 1.6 p-10 -38.86 -37.43 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.815 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.422 ' HB2' ' ND2' ' A' ' 85' ' ' ASN . 5.4 t80 -133.8 95.84 3.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.086 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 63.9 t -89.71 128.7 41.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -125.55 -42.3 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.013 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 58.3 t -125.96 120.41 57.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.092 0.472 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 70.3 mt -91.81 121.61 42.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.027 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.565 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 39.1 p-90 -135.17 141.73 45.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.926 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.23 162.34 15.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.869 0.366 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.98 138.25 11.26 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.508 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 95' ' ' GLU . 97.0 t -93.82 149.94 4.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.743 0.306 . . . . 0.0 111.214 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.523 ' O ' ' C ' ' A' ' 96' ' ' ASN . 23.0 mt-10 -71.81 -176.05 1.56 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.097 0.475 . . . . 0.0 110.668 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.523 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.1 p30 -27.07 114.81 0.07 Allowed 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.834 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -131.17 37.14 3.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -47.5 -63.22 1.11 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.783 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 47.9 mm -45.87 -45.28 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.64 -42.6 88.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.548 ' HG2' ' CD1' ' A' ' 122' ' ' PHE . 5.9 mtmp? -56.27 -56.76 17.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -45.74 -55.94 5.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.949 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.455 HG22 ' CD1' ' A' ' 107' ' ' ILE . 63.6 mt -54.17 -50.65 53.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.368 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.57 -32.72 59.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.996 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -78.07 -47.52 18.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.909 0.385 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -60.94 -50.98 71.21 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.004 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.465 HG23 ' CE ' ' A' ' 44' ' ' LYS . 60.6 mt -50.87 -47.74 29.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.218 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 111' ' ' LEU . 8.0 t0 -68.32 -53.01 27.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.696 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 108' ' ' ASP . 10.2 t0 -34.77 -47.53 0.34 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.919 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -68.88 -41.49 78.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.493 ' HB3' ' CD1' ' A' ' 116' ' ' PHE . 71.5 mt -61.56 -41.12 96.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 111' ' ' LEU . . . -36.72 -39.87 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.961 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -67.72 -42.48 81.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.773 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 111' ' ' LEU . 26.6 mt -64.86 -29.27 70.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.151 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 122.43 55.11 0.21 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.46 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.493 ' CD1' ' HB3' ' A' ' 111' ' ' LEU . 89.5 m-85 -131.32 151.38 51.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.115 0.483 . . . . 0.0 110.936 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.59 135.87 34.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.041 0.448 . . . . 0.0 110.728 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -110.4 142.09 42.57 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -98.27 124.48 42.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.44 -62.03 6.42 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.283 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -92.99 111.55 23.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.895 0.379 . . . . 0.0 110.983 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.548 ' CD1' ' HG2' ' A' ' 101' ' ' LYS . 1.1 t80 -88.84 139.25 30.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.037 0.446 . . . . 0.0 110.88 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.413 HG22 ' C ' ' A' ' 122' ' ' PHE . 34.7 t -136.21 115.35 16.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.067 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.23 106.49 11.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.975 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . 0.428 ' C ' HD11 ' A' ' 126' ' ' ILE . 25.3 p-80 -140.96 161.55 37.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.515 HD11 ' N ' ' A' ' 126' ' ' ILE . 4.4 mp -131.93 103.63 7.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.174 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 91.0 m -55.29 109.42 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.13 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 51.2 mt -73.56 -39.8 64.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 176.72 -176.81 48.07 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.566 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 -125.92 146.29 49.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 87.0 t -91.79 127.19 44.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.03 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -95.02 -62.15 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.032 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.483 ' O ' ' CD1' ' A' ' 133' ' ' PHE . 7.5 p90 -149.81 132.31 15.73 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.845 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 3.0 p -133.34 150.78 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.411 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -110.95 -50.7 2.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -76.91 108.98 10.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 138' ' ' LEU . 3.2 mppt? -71.53 -63.94 1.02 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 137' ' ' LYS . 31.4 mt -37.41 -52.92 1.14 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -43.31 -42.39 5.52 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.512 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 69.5 mt -52.58 -63.67 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.769 0.318 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.44 -60.0 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.4 mmt -38.26 -38.25 0.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -70.73 -59.04 3.04 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.823 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 29.8 mt -38.9 -54.14 1.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.885 0.374 . . . . 0.0 110.746 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -50.66 -42.95 57.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.731 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.9 -37.41 87.56 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.04 0.448 . . . . 0.0 111.015 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.454 ' CD2' HD12 ' A' ' 24' ' ' ILE . 8.2 mp -107.43 39.47 1.89 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.986 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -99.01 -37.71 9.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.981 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 150' ' ' GLU . 33.7 m120 -108.1 -24.66 11.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.855 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 149' ' ' ASN . 8.0 tm-20 -34.97 121.8 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.06 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -87.66 153.46 21.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . 0.512 ' CE1' HD23 ' A' ' 17' ' ' LEU . 81.8 m-85 -112.59 -33.57 6.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.816 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . 0.427 ' O ' ' ND2' ' A' ' 74' ' ' ASN . . . 136.9 -163.45 25.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.425 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.8 m -146.61 159.63 43.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -165.49 169.78 15.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' A' ' 70' ' ' LYS . 77.1 mt -112.6 130.02 67.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.056 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 55.4 t -84.13 99.9 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.108 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.449 ' HA ' ' CG ' ' A' ' 70' ' ' LYS . 16.3 mp0 -98.79 -69.89 0.75 Allowed 'General case' 0 C--O 1.224 -0.255 0 CA-C-O 121.077 0.465 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 180' ' ' PHE . . . -86.0 176.17 8.18 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.058 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . 0.451 HG23 ' N ' ' A' ' 161' ' ' GLU . 66.9 mt -131.08 153.01 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.283 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.451 ' N ' HG23 ' A' ' 160' ' ' ILE . 1.2 tm-20 -129.43 127.72 41.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.815 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . 0.419 ' N ' ' OE2' ' A' ' 161' ' ' GLU . 35.5 tp -115.97 120.93 40.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.792 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -126.79 155.48 42.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.991 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.41 ' HB3' ' CD1' ' A' ' 177' ' ' LEU . 10.3 pttm -127.56 151.65 48.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.027 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.468 ' OG ' ' CE1' ' A' ' 174' ' ' TYR . 6.7 t -118.21 139.4 51.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.001 0.429 . . . . 0.0 110.64 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 88.1 m -135.14 100.95 4.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.237 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 18.4 mt -67.44 128.06 35.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 18.1 p -130.7 158.05 75.94 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.671 0.748 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -48.13 -31.47 16.59 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.782 2.321 . . . . 0.0 112.235 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.42 -33.65 36.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.962 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 159.35 176.67 31.67 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.673 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.53 121.91 8.65 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.716 2.277 . . . . 0.0 112.387 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . 0.401 HG23 ' N ' ' A' ' 174' ' ' TYR . 20.0 mm -97.39 137.8 24.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . 0.468 ' CE1' ' OG ' ' A' ' 165' ' ' SER . 4.3 m-85 -128.54 114.97 17.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.048 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 176' ' ' THR . 9.7 tp10 -133.37 158.42 43.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.992 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' THR . . . . . 0.468 ' N ' ' HG3' ' A' ' 175' ' ' GLU . 18.8 m -91.71 146.49 23.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.026 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . 0.445 ' N ' HG21 ' A' ' 176' ' ' THR . 34.4 mt -112.4 -42.82 3.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.087 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.446 ' CB ' ' HE2' ' A' ' 58' ' ' LYS . . . -140.75 141.36 34.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.203 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -136.3 105.11 5.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.984 0.421 . . . . 0.0 110.81 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . 0.467 ' O ' ' CB ' ' A' ' 159' ' ' ALA . 18.3 m-85 -110.18 99.14 8.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.854 -179.751 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.505 ' CG ' ' O ' ' A' ' 1' ' ' MET . 9.9 ttt . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.981 0.42 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.5 ttt85 -74.35 72.73 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.042 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.455 ' CB ' HD12 ' A' ' 49' ' ' ILE . . . -63.77 154.82 32.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -167.16 134.25 2.37 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.735 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 26.1 pt -91.36 137.99 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -133.7 162.88 30.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.903 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.1 mt -106.74 134.33 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.91 130.84 47.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 10' ' ' SER . 3.2 m -111.27 89.31 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.953 0.406 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 9' ' ' VAL . 3.8 t -35.15 152.42 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -42.83 -37.88 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.807 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.2 t -41.67 -42.55 2.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.3 t -86.25 -54.91 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.21 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.8 mtt180 -42.83 -53.22 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.836 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.7 -35.81 79.09 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 19' ' ' ARG . . . -62.02 -68.82 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.957 0.408 . . . . 0.0 111.125 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.0 mt -41.05 -45.46 2.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.956 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.7 t -56.91 -36.94 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.049 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 16' ' ' ALA . 3.8 tpt180 -54.78 -45.26 74.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.55 -48.01 81.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.158 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.53 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 46.7 mt-30 -51.29 -60.47 3.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -41.42 -39.17 1.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.435 ' CE2' ' HG2' ' A' ' 143' ' ' LYS . 47.9 t80 -71.27 -36.44 71.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' GLN . 39.0 mt -68.94 -58.81 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.17 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.75 162.88 0.23 Allowed Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.611 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.2 m -118.03 38.65 3.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.893 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.6 mttm -70.64 -53.23 16.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.439 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -98.46 -39.76 8.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.901 179.789 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.439 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -99.96 149.33 23.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -105.77 100.7 10.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 53.3 mt -123.59 117.63 51.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -80.43 79.25 7.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.841 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.53 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 12.1 m-85 -56.02 163.77 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.969 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 50.9 t -105.15 148.78 9.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.237 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -41.1 163.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.795 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -76.28 -45.49 32.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 37' ' ' GLU . 10.3 tt0 -73.77 3.99 5.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.786 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -111.57 20.5 17.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.093 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -93.31 7.86 42.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.704 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -55.21 143.31 28.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.9 mt -79.53 119.26 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.068 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.2 m -69.97 92.59 0.73 Allowed 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.039 0.447 . . . . 0.0 111.171 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.475 ' O ' ' CE1' ' A' ' 122' ' ' PHE . 5.4 tt -51.28 -53.73 32.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 45' ' ' PHE . 30.7 tttm -153.46 147.33 25.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.128 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.413 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 46.3 t80 -99.85 140.05 34.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.987 0.423 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.8 mt -111.82 -64.52 1.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.49 -130.85 10.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.353 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.418 ' C ' HG13 ' A' ' 49' ' ' ILE . 16.2 mt-10 -74.05 136.87 43.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.709 0.29 . . . . 0.0 110.838 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.471 HG23 ' N ' ' A' ' 50' ' ' THR . 27.0 mt -149.2 155.55 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.511 ' HG1' ' NE2' ' A' ' 53' ' ' GLN . 34.7 p -97.38 135.94 38.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.089 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -41.01 -26.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.963 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 50' ' ' THR . 21.5 mt-10 -79.15 -49.2 12.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.733 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.511 ' NE2' ' HG1' ' A' ' 50' ' ' THR . 0.2 OUTLIER -68.48 -24.9 64.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.87 0.367 . . . . 0.0 110.747 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.69 -55.82 8.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.337 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -58.97 -20.7 55.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -71.07 -45.14 64.33 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.422 ' N ' HD13 ' A' ' 57' ' ' ILE . 1.9 mp -56.42 -42.48 75.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.155 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -62.54 -71.68 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -35.53 -38.31 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.022 179.671 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.468 ' N ' ' HG3' ' A' ' 59' ' ' LYS . 91.4 mt -66.22 -50.03 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 58' ' ' LYS . 25.3 mt -60.92 -32.43 71.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.951 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -54.33 -47.64 72.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -52.43 17.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.887 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.455 ' CD1' ' HA ' ' A' ' 107' ' ' ILE . 40.1 mt -51.18 -61.37 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.29 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.22 -16.32 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.083 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -97.48 -34.79 10.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.059 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -13.4 61.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.005 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.557 ' CD2' HG12 ' A' ' 103' ' ' ILE . 46.2 m-85 -106.83 155.4 19.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.044 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 172.06 8.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.751 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -86.79 100.15 12.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.787 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -91.86 155.53 18.13 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.84 112.79 23.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.748 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.6 m -113.98 165.01 9.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.086 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -115.1 152.53 32.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.742 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -112.48 98.4 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.048 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -143.01 155.61 44.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.045 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.49 137.2 3.1 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.547 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 70.7 mt -135.51 136.5 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.931 0.396 . . . . 0.0 110.922 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.509 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -114.76 170.42 13.25 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.527 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.7 m -137.42 157.36 34.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 111.213 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.613 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 11.6 m-85 -137.99 153.32 73.43 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.502 0.668 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 52.9 Cg_endo -69.79 -28.79 6.08 Favored 'Cis proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.826 -1.739 . . . . 0.0 112.188 0.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -155.89 158.7 31.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.685 0.755 . . . . 0.0 111.032 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -47.94 -55.68 3.79 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.621 2.214 . . . . 0.0 112.428 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -43.11 -40.5 3.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.772 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -131.22 90.31 2.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 74.8 t -79.46 131.86 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.179 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -127.31 -30.76 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.2 t -142.67 122.09 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.234 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 96.1 mt -89.07 128.29 41.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.613 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 19.5 p-90 -139.97 140.93 36.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.885 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.8 159.44 15.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.78 150.74 16.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.404 HG11 ' N ' ' A' ' 95' ' ' GLU . 90.4 t -109.13 146.72 14.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.877 0.37 . . . . 0.0 111.042 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.537 ' O ' ' C ' ' A' ' 96' ' ' ASN . 6.2 pt-20 -71.79 -175.71 1.46 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.537 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.9 OUTLIER -26.64 109.71 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.13 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.41 29.82 6.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.776 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -40.38 -61.93 0.84 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.815 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 11.3 mm -42.79 -47.65 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 58.9 mt -66.85 -34.53 70.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.215 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -61.98 -63.07 1.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.948 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -50.44 -29.54 10.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.557 HG12 ' CD2' ' A' ' 68' ' ' TYR . 65.5 mt -73.46 -44.69 53.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.194 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.08 -36.28 77.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.222 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -71.67 -42.73 67.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -60.42 -50.05 75.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.455 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 53.1 mt -51.49 -39.37 22.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.323 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 111' ' ' LEU . 4.9 t70 -75.58 -49.32 18.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.949 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 108' ' ' ASP . 6.1 t0 -37.3 -32.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.021 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 108' ' ' ASP . 3.3 mt-10 -82.99 -40.6 19.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.512 ' HB3' ' CD1' ' A' ' 116' ' ' PHE . 27.3 mt -64.73 -38.65 91.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.727 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -41.69 -31.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -78.32 -37.57 44.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 111' ' ' LEU . 37.6 mt -72.41 -24.73 61.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.992 0.425 . . . . 0.0 110.839 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 116.98 62.13 0.32 Allowed Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.558 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.512 ' CD1' ' HB3' ' A' ' 111' ' ' LEU . 51.5 m-85 -131.3 172.23 12.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.976 0.417 . . . . 0.0 110.812 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.0 tttt -100.71 152.23 20.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.953 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -118.38 135.62 54.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.874 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -99.95 122.98 43.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.902 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.86 -67.39 2.24 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.41 124.05 44.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.969 0.414 . . . . 0.0 110.77 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.475 ' CE1' ' O ' ' A' ' 43' ' ' LEU . 87.0 t80 -98.35 146.11 26.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 97.7 t -141.2 113.62 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.213 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.78 102.54 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.188 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 26.1 p-80 -136.24 165.0 26.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.969 0.414 . . . . 0.0 110.748 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.495 HD11 ' N ' ' A' ' 126' ' ' ILE . 1.7 mp -136.16 107.35 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.096 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 94.1 m -62.76 109.53 1.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.291 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 60.4 mt -72.37 -49.69 32.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -171.88 -179.23 42.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.528 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -122.48 146.55 47.28 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.884 0.373 . . . . 0.0 110.767 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 93.4 t -96.55 114.57 33.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.073 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.93 -50.02 6.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.79 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.555 ' O ' ' CD1' ' A' ' 133' ' ' PHE . 24.2 p90 -160.98 125.46 3.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.066 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.3 p -124.62 150.46 29.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.139 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -106.21 -49.85 3.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.033 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -88.3 93.75 9.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.732 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 138' ' ' LEU . 30.6 ttpt -61.95 -56.54 18.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.756 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 137' ' ' LYS . 30.1 mt -34.26 -49.55 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.761 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -44.83 -56.16 5.94 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.729 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 43.5 mt -41.7 -61.19 1.14 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.764 0.316 . . . . 0.0 111.001 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -61.91 -59.49 5.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.04 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 141' ' ' ALA . 8.4 mmt -37.94 -36.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.791 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 146' ' ' GLU . 24.5 mtmt -83.23 -56.66 3.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 143' ' ' LYS . 55.4 mt -37.29 -46.55 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.874 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -60.77 -39.93 90.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 143' ' ' LYS . 20.4 mm-40 -72.2 -44.03 63.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.752 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 3.8 mp -84.93 10.04 12.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.943 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.38 -38.29 30.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -109.79 -20.0 12.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -47.54 112.16 0.51 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -74.19 150.28 40.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.676 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -112.65 -22.17 10.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.029 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 123.47 -166.86 15.82 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.539 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.8 p -134.62 179.3 6.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.024 0.44 . . . . 0.0 110.746 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -174.85 157.04 2.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 8.1 mt -108.76 127.87 64.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.262 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 27.5 t -74.96 97.09 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.055 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -97.07 -70.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -98.56 168.35 10.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.074 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . 0.443 ' CG2' ' N ' ' A' ' 161' ' ' GLU . 91.6 mt -124.19 156.76 31.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.18 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.443 ' N ' ' CG2' ' A' ' 160' ' ' ILE . 6.5 tt0 -135.72 137.39 41.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.746 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 15.5 tp -124.18 126.16 45.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.801 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -127.27 170.2 12.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.956 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.79 157.25 27.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.776 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 40.7 t -134.29 119.42 18.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.666 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 92.4 m -134.81 99.41 4.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.086 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 71.5 mt -70.84 123.51 22.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.983 0.42 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 43.3 p -123.58 155.77 65.48 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.609 0.718 . . . . 0.0 111.317 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -47.82 -32.99 18.37 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.835 2.357 . . . . 0.0 112.442 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -80.55 -26.53 37.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.718 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 153.58 170.38 19.62 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.57 127.42 14.72 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.7 2.266 . . . . 0.0 112.377 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 38.1 mm -100.03 127.17 53.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.845 0.355 . . . . 0.0 111.087 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -125.63 119.69 28.74 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.069 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -143.73 144.14 31.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.837 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.18 140.89 40.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.208 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 17.7 mt -106.16 -38.39 6.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -162.04 137.79 7.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.055 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -128.12 112.47 14.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -91.05 97.83 11.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.052 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.793 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.628 0.251 . . . . 0.0 110.773 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -94.67 80.12 3.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.476 ' CB ' HD13 ' A' ' 49' ' ' ILE . . . -88.01 154.03 20.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -167.52 142.18 3.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.734 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.436 ' CD1' HD13 ' A' ' 107' ' ' ILE . 44.3 pt -85.56 140.57 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.028 0.442 . . . . 0.0 111.242 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -135.89 154.12 51.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 88.1 mt -104.17 114.82 44.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.245 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -37.94 140.6 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.792 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.6 m -123.57 91.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.038 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.0 t -44.53 169.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.936 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -50.36 -35.89 30.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.3 p -40.4 -37.74 0.72 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.027 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.3 t -97.7 -56.87 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -41.93 -62.08 0.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.742 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.89 -40.7 66.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.99 -64.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.144 0.497 . . . . 0.0 111.256 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.9 mt -49.79 -46.05 50.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.1 t -58.52 -41.87 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.239 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -51.51 -41.82 61.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.01 -49.85 64.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.059 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.542 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 50.1 mt-30 -47.33 -62.16 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.993 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' GLN . 31.1 t70 -36.64 -42.29 0.35 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.989 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -74.64 -41.25 60.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 21' ' ' GLN . 96.2 mt -55.14 -51.54 53.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.87 162.41 1.42 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.245 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 76.0 p -131.85 42.86 3.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.979 0.418 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.7 tttt -88.7 -56.64 3.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.0 mp0 -77.41 -51.66 10.42 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.7 143.21 30.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.205 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -94.55 91.76 6.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.717 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.1 mt -115.75 111.14 34.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.128 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.72 89.47 3.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.542 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 14.2 m-85 -57.53 -179.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.706 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.412 ' O ' ' C ' ' A' ' 35' ' ' GLU . 84.8 t -120.73 144.77 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.066 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.455 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 48.4 mt-10 -37.42 156.26 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.805 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.504 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 14.0 mtt85 -66.29 -45.33 80.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -85.47 24.08 1.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.959 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.455 ' ND2' ' HB2' ' A' ' 35' ' ' GLU . 2.8 m-80 -121.86 9.12 9.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.504 ' CE2' ' HA ' ' A' ' 36' ' ' ARG . 30.2 m-85 -86.6 6.94 28.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.563 ' CE1' ' HD2' ' A' ' 163' ' ' LYS . 5.4 p-80 -49.24 135.6 16.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.714 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.0 mt -75.29 115.89 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.218 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 45.9 m -66.22 95.29 0.29 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.202 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.55 ' O ' ' CZ ' ' A' ' 122' ' ' PHE . 5.2 tt -56.05 -50.58 70.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.014 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.476 ' CD ' HD23 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -155.1 119.03 4.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.835 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -71.83 136.92 47.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.82 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.476 HD23 ' CD ' ' A' ' 44' ' ' LYS . 12.2 mt -103.4 -65.2 1.02 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.838 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.87 -127.56 8.01 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.367 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.426 ' C ' HG13 ' A' ' 49' ' ' ILE . 3.1 tp10 -77.94 128.1 33.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.94 0.4 . . . . 0.0 110.764 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.476 HD13 ' CB ' ' A' ' 3' ' ' ALA . 13.3 mt -148.43 146.71 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.046 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.419 ' N ' HG23 ' A' ' 49' ' ' ILE . 46.3 p -94.99 145.86 24.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -43.55 -33.25 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.049 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -69.87 -71.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -40.43 -35.27 0.42 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.055 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -41.58 -54.3 3.25 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.057 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -48.74 -36.44 16.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 110.823 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 57' ' ' ILE . 4.6 tp10 -58.7 -63.06 1.43 Allowed 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.946 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.409 ' H ' ' CD1' ' A' ' 57' ' ' ILE . 4.0 mp -36.6 -59.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.9 mttt -43.5 -58.78 2.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -47.67 -42.4 24.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.992 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.76 -54.01 41.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.276 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 53.8 mt -53.51 -41.85 66.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.112 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -51.86 -41.68 62.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -77.74 -48.61 16.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.871 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.464 HD13 ' CG1' ' A' ' 107' ' ' ILE . 8.0 mt -57.23 -62.19 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.03 0.443 . . . . 0.0 111.063 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.69 -15.2 0.43 Allowed 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -90.32 -51.06 5.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.042 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.464 ' CE ' ' HG3' ' A' ' 106' ' ' GLU . 6.9 pttp -68.15 -9.5 47.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.523 ' CG ' HG12 ' A' ' 103' ' ' ILE . 41.4 m-85 -110.37 155.1 22.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.027 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -99.06 178.76 4.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.058 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.469 ' CE ' ' HG2' ' A' ' 158' ' ' GLU . 6.6 ptmt -112.54 106.5 14.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.862 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.456 ' CG ' ' H ' ' A' ' 72' ' ' GLU . 63.4 t60 -99.42 173.7 6.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.019 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.456 ' H ' ' CG ' ' A' ' 71' ' ' HIS . 0.4 OUTLIER -112.31 132.28 55.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.8 m -130.6 169.48 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.989 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.432 ' HB2' ' CD ' ' A' ' 95' ' ' GLU . 2.7 m120 -113.13 154.98 25.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.0 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.7 p -125.85 125.01 67.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.234 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.507 ' NE ' ' O ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -174.35 175.16 2.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.799 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.95 136.77 0.14 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.479 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 68.3 mt -133.35 133.94 57.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.332 . . . . 0.0 111.191 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.61 172.85 16.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.563 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.6 m -140.06 156.16 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.778 0.323 . . . . 0.0 111.261 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.55 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 10.6 m-85 -138.36 152.34 71.17 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.568 0.699 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.4 Cg_endo -69.36 -28.57 6.04 Favored 'Cis proline' 0 CA--C 1.523 -0.04 0 C-N-CA 122.802 -1.749 . . . . 0.0 112.372 -0.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -158.37 161.19 29.03 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 121.664 0.745 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -47.77 -60.1 1.0 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.741 2.294 . . . . 0.0 112.304 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -39.89 -40.08 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.782 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -130.8 89.01 2.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.067 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 86.7 t -83.66 129.67 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.6 mmm-85 -125.25 -40.42 2.13 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 67.2 t -127.77 126.02 66.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.093 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 70.1 mt -93.68 130.53 42.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.55 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 60.0 p-90 -146.04 146.06 30.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.979 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -94.81 167.03 11.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.254 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -129.18 155.1 20.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.588 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 89.6 t -117.54 146.12 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.909 0.385 . . . . 0.0 111.182 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.516 ' O ' ' C ' ' A' ' 96' ' ' ASN . 3.2 pt-20 -72.28 -175.6 1.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.077 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.516 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.6 OUTLIER -27.94 108.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -122.41 52.07 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 101' ' ' LYS . 43.5 mt-10 -51.98 -70.42 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.415 HG13 ' CB ' ' A' ' 71' ' ' HIS . 21.4 mm -36.92 -54.89 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.826 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.1 mt -58.31 -38.94 72.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.934 0.397 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 98' ' ' GLU . 47.0 mtpt -67.04 -57.85 6.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.014 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.4 ' CD ' ' HA ' ' A' ' 99' ' ' ILE . 14.1 ptpt -52.17 -43.18 63.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.678 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.523 HG12 ' CG ' ' A' ' 68' ' ' TYR . 96.0 mt -67.15 -43.46 88.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.44 -38.93 66.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.0 tttt -67.09 -38.57 85.92 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.827 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.464 ' HG3' ' CE ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -67.37 -43.5 81.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.067 0.461 . . . . 0.0 110.983 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.464 ' CG1' HD13 ' A' ' 64' ' ' ILE . 32.3 mt -61.43 -42.49 94.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.172 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -76.06 -30.82 58.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.134 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.8 -51.53 68.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.642 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -64.13 -52.96 56.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.527 ' HB3' ' CG ' ' A' ' 116' ' ' PHE . 24.6 mt -51.03 -36.58 40.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.713 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.7 -35.42 0.48 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.194 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -47.59 48.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.754 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 27.9 mt -61.84 -7.79 4.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 106.79 56.61 0.63 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.546 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.527 ' CG ' ' HB3' ' A' ' 111' ' ' LEU . 11.6 m-85 -130.24 173.25 10.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.032 0.444 . . . . 0.0 110.913 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -126.69 137.76 53.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.961 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -109.64 141.8 41.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.987 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 120' ' ' GLY . 4.6 tp10 -99.25 122.79 42.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.075 0.464 . . . . 0.0 110.817 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 119' ' ' GLU . . . -37.81 -63.82 0.83 Allowed Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -99.59 129.18 45.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.889 0.376 . . . . 0.0 110.828 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.55 ' CZ ' ' O ' ' A' ' 43' ' ' LEU . 34.7 t80 -95.11 153.52 17.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.81 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 91.0 t -136.33 121.68 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.177 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.75 104.91 16.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.037 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -140.65 167.64 21.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.511 HD11 ' N ' ' A' ' 126' ' ' ILE . 4.4 mp -137.43 106.31 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.908 0.385 . . . . 0.0 111.052 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 93.2 m -63.53 109.4 1.63 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 65.3 mt -74.95 -37.14 62.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.12 0.486 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 172.41 170.19 35.94 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.504 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -110.09 147.46 33.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.701 0.286 . . . . 0.0 111.114 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.0 t -90.81 114.46 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.932 0.396 . . . . 0.0 111.19 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER -82.23 -55.83 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.899 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -163.9 135.55 4.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.4 p -132.38 152.85 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.278 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 34.6 tttp -107.92 -46.09 3.85 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.765 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -89.52 101.46 14.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.984 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 138' ' ' LEU . 3.1 mmmm -67.35 -57.71 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.775 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 137' ' ' LYS . 40.7 mt -37.86 -51.15 1.3 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.039 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -46.37 -41.38 11.91 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.632 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 76.8 mt -56.07 -59.14 5.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.995 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.2 -58.36 6.19 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.12 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.6 mmt -44.47 -33.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.752 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -78.51 -54.18 6.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.963 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 148' ' ' ALA . 40.6 mt -39.57 -57.72 1.42 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.828 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm -40.17 -41.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -68.34 -40.5 81.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.044 0.45 . . . . 0.0 110.798 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 144' ' ' LEU . 4.8 mp -108.83 30.94 6.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.959 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 144' ' ' LEU . . . -75.78 -49.83 16.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.094 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -133.07 25.69 4.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -56.47 132.21 50.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -76.74 130.4 37.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.009 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -102.57 -37.18 8.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 138.87 -164.54 25.77 Favored Glycine 0 CA--C 1.512 -0.13 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.524 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.2 p -132.02 174.19 10.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.841 0.353 . . . . 0.0 110.981 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -175.37 144.17 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.671 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.439 HG12 ' CB ' ' A' ' 72' ' ' GLU . 50.2 mt -99.03 126.39 52.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.964 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 53.4 t -71.93 92.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.139 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.469 ' HG2' ' CE ' ' A' ' 70' ' ' LYS . 3.6 mt-10 -93.91 -68.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.797 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -99.44 169.7 9.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.111 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 16.9 mt -140.49 154.2 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -146.98 135.96 22.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.007 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 12.5 tp -94.22 132.63 38.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . 0.563 ' HD2' ' CE1' ' A' ' 40' ' ' HIS . 10.6 mttm -117.73 144.13 45.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -111.62 145.53 39.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.066 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 28.8 t -125.33 124.67 42.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.134 0.492 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 66.3 m -137.38 105.35 5.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.005 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.442 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 23.7 mt -71.19 131.61 43.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 47.1 p -134.39 155.8 79.46 Favored Pre-proline 0 C--O 1.235 0.329 0 CA-C-O 121.498 0.666 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_exo -47.95 -33.08 19.3 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.745 2.297 . . . . 0.0 112.452 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -80.26 -24.51 40.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 149.98 172.12 19.06 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.379 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . 0.442 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 55.2 Cg_endo -69.6 132.03 22.72 Favored 'Trans proline' 0 CA--C 1.529 0.232 0 C-N-CA 122.832 2.355 . . . . 0.0 112.264 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 48.9 mm -99.18 130.28 48.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.019 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . 0.441 ' CD2' ' OD1' ' A' ' 38' ' ' ASN . 5.5 m-85 -136.22 118.94 16.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -156.16 145.22 20.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 14.5 m -74.75 134.38 41.86 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 20.5 mt -98.52 -32.48 11.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 180' ' ' PHE . . . -141.24 128.51 21.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.026 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.26 105.03 11.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.973 0.416 . . . . 0.0 110.849 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 178' ' ' ALA . 11.0 m-85 -101.62 98.04 8.39 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.744 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . 0.405 ' OE1' ' C ' ' A' ' 181' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.421 ' O ' ' O ' ' A' ' 47' ' ' GLY . 6.3 ptt? . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.802 0.334 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -87.07 71.34 10.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.404 ' CB ' HD13 ' A' ' 49' ' ' ILE . . . -69.74 140.57 53.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 4' ' ' PHE . 3.3 p90 -156.11 139.4 15.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.737 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.1 pt -93.33 144.07 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.09 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -141.25 161.37 38.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.426 HG21 ' N ' ' A' ' 8' ' ' ASP . 52.9 mt -104.71 138.68 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.067 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.426 ' N ' HG21 ' A' ' 7' ' ' ILE . 1.6 t70 -59.21 141.63 53.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.009 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.4 m -123.37 89.58 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.93 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.4 t -41.34 162.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.649 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -46.52 -44.31 17.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.0 p -39.75 -33.24 0.18 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.755 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.5 t -95.48 -55.05 6.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.0 mtt180 -42.45 -63.79 0.71 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.732 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -35.82 69.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.76 -52.54 65.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.1 mt -63.47 -48.57 77.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -57.21 -40.81 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.019 0.437 . . . . 0.0 111.232 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.8 ttm-85 -48.7 -45.37 39.08 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.34 -49.01 71.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.251 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.582 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 45.2 mt-30 -45.43 -58.4 3.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.18 -42.59 2.1 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -74.15 -43.26 58.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.3 mt -53.09 -50.85 43.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.917 0.389 . . . . 0.0 111.005 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.95 151.76 0.02 OUTLIER Glycine 0 C--O 1.228 -0.242 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.46 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 90.7 p -115.57 41.5 2.49 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.018 0.437 . . . . 0.0 110.96 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -83.4 -59.76 2.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -76.62 -48.42 19.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.89 151.27 21.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.038 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -105.36 84.77 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.807 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.425 HD11 ' CD1' ' A' ' 90' ' ' ILE . 38.1 mt -108.79 134.35 51.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.079 0.466 . . . . 0.0 111.027 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -97.13 90.95 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.946 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.582 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 16.5 m-85 -60.67 174.86 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.74 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.582 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 40.6 t -123.41 148.64 27.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.06 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -41.0 159.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.837 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -44.93 68.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.992 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.1 22.48 0.96 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.997 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -125.11 9.09 8.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.582 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 20.9 m-85 -93.24 4.59 53.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.013 0.435 . . . . 0.0 110.959 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -46.79 123.0 4.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 66.1 mt -50.97 115.18 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.237 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.1 m -70.05 81.84 0.5 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.992 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.425 ' C ' HD21 ' A' ' 43' ' ' LEU . 5.5 tt -39.51 -57.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.0 tttp -151.73 141.36 21.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -93.41 139.62 30.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.81 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.7 mt -110.32 -63.37 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.965 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 106.11 -130.07 10.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.457 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -71.47 132.5 44.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.877 0.37 . . . . 0.0 110.769 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.409 HG23 ' N ' ' A' ' 50' ' ' THR . 35.5 mt -149.19 145.0 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.25 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' GLU . 19.1 p -88.03 135.99 33.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.131 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -39.53 -27.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.98 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' THR . 18.3 mt-10 -76.06 -62.16 1.69 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.41 -33.09 52.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.157 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -40.15 -39.66 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' A' ' 56' ' ' GLU . 7.7 pt-20 -71.08 -43.27 68.08 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 55' ' ' GLU . 0.7 OUTLIER -48.36 -38.09 18.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.94 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.453 HD11 ' N ' ' A' ' 57' ' ' ILE . 1.8 mp -61.84 -40.61 87.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.186 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.456 ' CE ' ' HB2' ' A' ' 178' ' ' ALA . 4.6 mptt -61.41 -66.63 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.116 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 58' ' ' LYS . 58.6 mmtt -34.86 -51.34 0.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.038 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 90.3 mt -53.91 -51.99 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.44 -35.87 80.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.971 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 66' ' ' LYS . 5.9 tp10 -49.66 -31.08 10.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.126 0.488 . . . . 0.0 111.009 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -94.36 -46.89 6.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.699 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.3 mt -50.76 -48.94 27.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.158 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.73 -10.19 5.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -101.29 -52.63 3.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.822 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -9.41 13.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -116.49 156.54 26.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.998 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -107.03 -177.47 3.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -115.1 106.25 13.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.612 ' CE1' ' CG1' ' A' ' 73' ' ' VAL . 0.6 OUTLIER -93.34 157.55 16.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.809 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -94.44 102.87 14.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.073 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.612 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 35.3 m -105.0 172.1 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.998 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -121.17 160.77 23.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.0 p -124.08 109.64 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.172 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.5 ttp85 -157.8 143.56 17.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.81 145.84 15.37 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.533 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 43.2 mt -142.16 133.16 25.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-O 120.826 0.346 . . . . 0.0 111.098 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.439 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -113.98 166.38 12.14 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.56 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.3 m -134.56 166.79 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.109 0.481 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.544 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 13.4 m-85 -150.62 152.62 32.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.678 0.752 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.6 Cg_endo -69.7 -20.36 10.73 Favored 'Cis proline' 0 C--N 1.343 0.242 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.538 -0.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -166.41 161.62 12.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.555 0.693 . . . . 0.0 110.914 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -48.09 -62.72 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.213 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -38.49 -39.23 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -132.68 93.03 3.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.992 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.4 t -86.54 130.59 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.261 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -124.1 -36.49 2.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.012 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 89.2 t -133.62 123.02 44.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.045 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.425 ' CD1' HD11 ' A' ' 31' ' ' ILE . 63.9 mt -91.2 129.98 41.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.544 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 40.0 p-90 -145.01 143.96 30.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.885 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -94.38 167.48 11.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.44 155.72 18.3 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.623 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 95' ' ' GLU . 87.8 t -111.0 145.03 17.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.746 0.307 . . . . 0.0 111.017 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.512 ' O ' ' C ' ' A' ' 96' ' ' ASN . 35.8 mt-10 -70.98 -176.57 1.4 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.801 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.512 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.0 OUTLIER -27.3 101.06 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.981 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -118.1 51.98 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.691 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -52.28 -70.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.714 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.422 ' HB ' ' CE1' ' A' ' 71' ' ' HIS . 43.8 mm -40.15 -61.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.178 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.9 mt -42.55 -40.62 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -63.65 -44.97 92.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.971 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -58.99 -57.39 13.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 81.2 mt -54.93 -37.47 41.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.47 -39.61 88.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.991 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -76.02 -34.22 59.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -69.93 -41.48 74.54 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.777 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 64.0 mt -60.46 -38.2 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 109' ' ' ASP . 21.9 t0 -79.22 -51.42 9.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.691 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 108' ' ' ASP . 1.9 t70 -34.17 -39.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.099 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -79.68 -52.98 7.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 114' ' ' LEU . 49.8 mt -49.4 -45.97 46.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.839 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 111' ' ' LEU . . . -34.55 -35.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.981 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 111' ' ' LEU . 0.3 OUTLIER -74.02 -46.08 45.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.836 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 111' ' ' LEU . 42.7 mt -63.25 -25.86 68.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.061 0.457 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 122.01 62.97 0.22 Allowed Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.435 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.449 ' CG ' ' HB3' ' A' ' 111' ' ' LEU . 37.2 m-85 -136.19 151.97 50.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.759 0.314 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 118' ' ' LYS . 20.3 tptt -87.89 146.98 25.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.799 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 117' ' ' LYS . 9.7 ttmt -115.07 138.79 50.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.04 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -99.88 123.38 44.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -43.19 -66.66 1.13 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -99.96 146.37 26.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.875 0.369 . . . . 0.0 111.008 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -99.94 149.49 23.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.68 121.07 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.176 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.19 105.81 17.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -141.02 165.12 28.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.925 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.528 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.1 mp -136.81 108.72 6.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.055 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 85.2 m -62.85 115.9 4.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.953 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 40.8 mt -79.67 -36.45 37.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.012 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -179.48 -174.49 45.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.472 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -121.53 137.11 54.87 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.799 0.333 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.5 t -89.28 110.82 22.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.271 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.81 -56.69 3.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.811 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -155.07 135.06 12.95 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.6 p -139.75 147.93 23.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.283 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -107.35 -51.03 2.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -66.49 88.28 0.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.821 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -58.67 -62.05 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 63.6 mt -42.14 -43.58 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -47.51 -46.12 23.16 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.658 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 42.8 mt -45.98 -56.27 5.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.996 0.426 . . . . 0.0 111.078 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -73.52 -61.24 1.9 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.223 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 141' ' ' ALA . 13.6 mmt -37.12 -43.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.795 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -71.4 -58.28 3.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 37.0 mt -37.57 -59.76 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.004 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp -42.88 -53.33 4.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -56.2 -43.91 78.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.791 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.9 mp -95.05 33.27 1.54 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.747 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -98.88 -35.05 10.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.145 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 150' ' ' GLU . 2.3 m120 -112.18 -26.28 8.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 149' ' ' ASN . 8.5 tm-20 -35.94 106.47 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.81 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -67.04 146.93 53.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.72 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -109.01 -36.61 6.03 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 140.19 -167.44 25.45 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 36.3 p -137.61 168.1 20.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.822 0.344 . . . . 0.0 110.986 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -171.94 160.67 5.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.804 0.335 . . . . 0.0 111.049 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 66.9 mt -110.65 125.07 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-O 120.986 0.422 . . . . 0.0 111.207 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 53.2 t -76.77 97.93 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.246 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -100.18 -63.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -93.81 165.98 12.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 161' ' ' GLU . 34.7 mt -126.43 142.46 42.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.28 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.468 ' N ' HG22 ' A' ' 160' ' ' ILE . 8.3 mp0 -122.28 153.64 38.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.078 0.466 . . . . 0.0 110.704 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . 0.436 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 13.2 tp -143.38 134.3 25.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.957 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -140.06 156.51 46.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.047 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.482 ' HE3' ' CG ' ' A' ' 175' ' ' GLU . 3.3 pttp -113.58 143.08 45.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 5.9 m -120.72 120.13 34.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.163 0.506 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 97.8 m -135.27 102.42 5.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.07 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.405 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 11.6 mt -68.35 134.69 50.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 46.4 p -137.76 155.29 75.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.556 0.693 . . . . 0.0 111.521 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -47.99 -31.56 16.15 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.302 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -80.08 -33.43 38.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 158.06 171.66 24.26 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.454 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . 0.405 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 53.9 Cg_endo -69.64 128.24 15.85 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.551 2.168 . . . . 0.0 112.316 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 46.5 mm -98.28 119.43 46.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.978 0.418 . . . . 0.0 111.129 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -128.79 113.27 15.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.482 ' CG ' ' HE3' ' A' ' 164' ' ' LYS . 4.1 pt-20 -144.67 148.99 34.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 3.5 m -76.6 144.72 39.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.184 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . 0.414 ' CD1' ' HB3' ' A' ' 164' ' ' LYS . 61.8 mt -112.2 -35.51 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.456 ' HB2' ' CE ' ' A' ' 58' ' ' LYS . . . -147.31 133.29 19.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -135.96 109.45 7.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -111.95 97.86 6.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.835 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 ptt? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.948 0.404 . . . . 0.0 110.719 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -91.64 70.01 5.76 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.426 ' HB1' ' CD1' ' A' ' 49' ' ' ILE . . . -67.34 152.75 45.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.082 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -168.73 140.84 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.447 HG21 ' CD1' ' A' ' 162' ' ' LEU . 30.9 pt -91.06 147.79 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.164 0.507 . . . . 0.0 111.049 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.31 169.04 19.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.041 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.0 mt -113.62 120.01 62.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.202 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -49.31 126.67 13.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 m -105.36 91.06 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.0 t -41.48 163.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' SER . 34.4 mm-40 -47.97 -44.94 30.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' GLU . 78.1 p -36.93 -46.94 0.67 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 16' ' ' ALA . 84.4 t -83.11 -57.0 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -38.67 -63.87 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.25 -27.51 55.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.859 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' VAL . . . -63.18 -55.9 21.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.459 ' HA ' ' CE1' ' A' ' 152' ' ' PHE . 72.0 mt -63.62 -47.92 79.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.725 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.517 ' CG2' ' HD3' ' A' ' 36' ' ' ARG . 87.0 t -55.71 -36.88 44.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.999 0.428 . . . . 0.0 111.186 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.5 ttm-85 -52.95 -46.0 67.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.804 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.05 -46.17 82.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.68 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 49.1 mt-30 -46.46 -58.02 4.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -42.03 -38.99 1.79 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.752 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -74.32 -31.09 62.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 21' ' ' GLN . 67.4 mt -70.4 -60.83 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.47 156.95 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.343 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.4 p -112.02 55.34 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.99 0.424 . . . . 0.0 111.032 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -84.65 -50.7 7.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.496 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 2.0 pm0 -99.35 -40.99 7.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.496 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -100.91 152.92 19.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.094 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -105.78 105.64 15.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.726 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.6 mt -133.14 130.24 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.173 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -99.62 100.66 11.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.68 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 20.8 m-85 -67.26 175.04 2.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.785 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.543 ' HB ' ' CE1' ' A' ' 39' ' ' PHE . 49.1 t -113.98 148.75 16.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.078 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -46.06 170.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.833 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.517 ' HD3' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -77.22 -41.8 39.87 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.935 -179.873 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -85.31 25.68 0.98 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.412 ' OD1' ' CD2' ' A' ' 174' ' ' TYR . 3.1 m-80 -131.96 12.13 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.792 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.543 ' CE1' ' HB ' ' A' ' 34' ' ' VAL . 17.3 m-85 -97.62 6.43 48.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.996 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.418 ' CE1' ' HD2' ' A' ' 163' ' ' LYS . 2.4 p-80 -53.42 124.47 14.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 62.1 mt -55.47 118.15 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.216 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.5 m -71.45 87.21 0.87 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.181 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.427 ' C ' HD23 ' A' ' 43' ' ' LEU . 5.4 tt -47.41 -54.19 11.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.508 ' CD ' HD22 ' A' ' 46' ' ' LEU . 1.3 tmtp? -152.81 121.32 6.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -77.97 131.61 37.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.508 HD22 ' CD ' ' A' ' 44' ' ' LYS . 12.7 mt -99.99 -65.78 0.94 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.765 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.87 -129.67 9.92 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.607 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.25 125.14 23.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.9 0.381 . . . . 0.0 110.979 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 50' ' ' THR . 38.4 mt -147.84 153.0 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.443 ' N ' HG22 ' A' ' 49' ' ' ILE . 61.8 p -102.2 146.33 28.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -48.78 -20.21 0.45 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -85.98 -69.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -42.88 -29.5 0.33 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.08 -52.0 22.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.16 -26.31 66.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 0.8 OUTLIER -64.53 -42.78 95.55 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.785 -179.813 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.436 HG13 ' CD2' ' A' ' 111' ' ' LEU . 2.5 mp -62.94 -45.21 99.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.265 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.43 ' CE ' ' HB1' ' A' ' 178' ' ' ALA . 50.9 mttp -44.99 -64.46 0.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.03 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 56' ' ' GLU . 14.9 ptmt -49.34 -44.74 44.84 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.899 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 82.1 mt -55.36 -45.21 77.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 62' ' ' GLU . 41.9 mt -70.87 -56.58 5.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.791 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 61' ' ' LEU . 23.5 tp10 -36.3 -36.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.802 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -83.98 -51.49 7.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.839 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 80.1 mt -53.79 -57.23 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.361 . . . . 0.0 111.187 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.75 -9.06 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.122 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -97.65 -35.24 10.65 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.482 ' HG3' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -78.39 -17.6 56.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.981 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.499 ' CG ' HG12 ' A' ' 103' ' ' ILE . 50.4 m-85 -103.29 158.22 16.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -99.99 -178.74 3.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.034 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.463 ' HB2' ' CG2' ' A' ' 156' ' ' ILE . 0.0 OUTLIER -117.56 109.25 16.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.069 0.461 . . . . 0.0 111.052 179.691 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -98.34 137.53 36.92 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.771 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -74.3 99.92 3.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.815 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.9 m -99.13 175.59 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 75' ' ' VAL . 6.6 t-20 -127.8 163.32 24.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.055 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.479 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 1.5 p -126.93 116.0 43.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.317 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -158.41 149.56 20.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.862 -179.811 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.464 ' N ' ' HD3' ' A' ' 76' ' ' ARG . . . 92.2 144.4 13.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.308 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 79' ' ' GLY . 96.5 mt -140.02 141.69 33.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.794 0.33 . . . . 0.0 111.16 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.425 ' N ' HG23 ' A' ' 78' ' ' ILE . . . -119.3 174.47 15.42 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.465 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.6 m -139.27 161.58 28.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.849 0.357 . . . . 0.0 111.049 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.705 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 12.0 m-85 -143.13 154.16 60.98 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 121.667 0.746 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.4 Cg_endo -69.61 -20.38 10.62 Favored 'Cis proline' 0 C--N 1.343 0.279 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.315 -0.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -165.52 160.42 13.86 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.538 0.685 . . . . 0.0 110.964 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -47.8 -57.16 2.49 Favored 'Trans proline' 0 CA--C 1.526 0.09 0 C-N-CA 122.76 2.307 . . . . 0.0 112.395 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -41.34 -40.68 1.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.744 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -131.97 96.58 3.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.057 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.0 t -86.83 130.49 36.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -127.52 -35.26 2.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 94.2 t -135.39 122.13 34.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.067 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 64.3 mt -91.46 136.02 25.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.258 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.705 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 29.7 p-90 -150.89 141.13 22.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.038 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.74 166.84 12.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.014 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -126.35 159.49 20.67 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.382 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.4 HG13 ' N ' ' A' ' 95' ' ' GLU . 90.4 t -109.8 147.47 14.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.869 0.366 . . . . 0.0 111.166 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.509 ' O ' ' C ' ' A' ' 96' ' ' ASN . 5.0 mm-40 -70.87 -176.53 1.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.509 ' C ' ' O ' ' A' ' 95' ' ' GLU . 2.0 t30 -28.88 103.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.774 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -126.96 50.63 1.95 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.65 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -59.37 -50.03 75.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 42.7 mm -53.82 -40.44 43.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.204 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 55.3 mt -73.09 -15.05 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.136 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -85.87 -52.24 5.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.997 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -60.61 -35.19 75.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.022 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.499 HG12 ' CG ' ' A' ' 68' ' ' TYR . 86.4 mt -65.77 -49.24 78.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.047 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.426 ' CB ' ' CE2' ' A' ' 122' ' ' PHE . . . -55.62 -41.0 72.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.19 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -58.98 -35.56 73.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.776 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -72.86 -40.78 65.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 72.9 mt -66.18 -33.65 64.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.101 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.4 ' CG ' ' NZ ' ' A' ' 44' ' ' LYS . 20.2 t0 -82.13 -41.72 20.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.957 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -55.3 -27.93 50.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.718 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -85.14 -45.23 12.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 110.743 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 116' ' ' PHE . 65.9 mt -62.96 -35.0 78.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -41.37 -34.26 0.5 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.036 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -73.74 -41.92 61.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 111' ' ' LEU . 78.7 mt -63.18 -25.87 68.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 119.36 55.6 0.26 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.694 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 111' ' ' LEU . 78.4 m-85 -128.76 166.22 19.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.931 0.396 . . . . 0.0 110.905 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -85.45 150.54 24.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.811 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.76 115.23 24.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.817 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -88.89 116.3 27.07 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.47 -59.83 9.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.556 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -91.96 127.82 37.57 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.803 0.335 . . . . 0.0 110.822 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.426 ' CE2' ' CB ' ' A' ' 104' ' ' ALA . 11.2 t80 -98.95 142.76 30.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.026 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 84.4 t -143.33 131.89 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.66 110.6 23.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -144.66 161.12 39.96 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.829 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.544 ' N ' HD13 ' A' ' 126' ' ' ILE . 3.7 mp -134.55 100.21 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.052 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 86.6 m -54.29 118.91 4.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.939 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 53.1 mt -80.8 -42.05 22.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 179.88 -171.4 42.9 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.545 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 130' ' ' ARG . 2.8 mpt_? -125.51 152.65 44.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.794 0.33 . . . . 0.0 110.975 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 88.7 t -101.51 121.66 52.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.291 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -92.53 -49.44 6.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 133' ' ' PHE . 4.7 p90 -163.06 139.38 7.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.696 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.4 p -139.23 148.74 23.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.983 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -104.14 -48.35 3.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.83 108.01 8.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -71.68 -65.59 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 32.3 mt -40.54 -44.83 2.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -45.31 -48.86 10.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.365 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 47.6 mt -45.97 -63.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.695 0.284 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -64.09 -62.92 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.241 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 141' ' ' ALA . 14.3 mmt -36.53 -45.31 0.49 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 146' ' ' GLU . 2.9 ttmm -68.23 -57.05 6.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.833 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 33.9 mt -37.87 -48.36 1.13 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.923 0.392 . . . . 0.0 110.986 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.46 ' HE3' ' N ' ' A' ' 145' ' ' LYS . 0.2 OUTLIER -56.41 -41.06 75.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.792 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 143' ' ' LYS . 7.8 mm-40 -63.68 -33.97 76.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.839 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 5.9 mp -112.03 38.55 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.013 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -98.72 -30.09 12.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.312 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 150' ' ' GLU . 2.3 m-80 -125.66 -13.27 6.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.675 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 149' ' ' ASN . 2.2 tt0 -37.55 131.05 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.944 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -84.17 144.93 28.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . 0.459 ' CE1' ' HA ' ' A' ' 17' ' ' LEU . 37.6 m-85 -113.95 -33.87 5.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 133.91 -165.89 24.14 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.597 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 25.0 p -141.86 165.52 27.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.67 0.271 . . . . 0.0 110.954 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -168.25 173.47 7.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 70' ' ' LYS . 56.3 mt -117.44 134.02 62.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 22.3 t -90.44 95.89 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.124 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -97.93 -70.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.81 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -89.31 171.2 9.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.184 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . 0.413 HG21 ' N ' ' A' ' 161' ' ' GLU . 78.5 mt -132.42 141.78 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.413 ' N ' HG21 ' A' ' 160' ' ' ILE . 41.4 tt0 -122.03 117.59 26.72 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.82 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . 0.447 ' CD1' HG21 ' A' ' 5' ' ' ILE . 14.9 tp -96.24 122.64 39.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.791 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . 0.418 ' HD2' ' CE1' ' A' ' 40' ' ' HIS . 61.6 mttt -124.77 151.87 44.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.797 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.421 ' HB3' ' CD1' ' A' ' 177' ' ' LEU . 12.6 pttt -118.37 154.63 32.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.932 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 8.7 t -126.8 134.78 50.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 62.6 m -138.9 105.57 5.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.115 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.416 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 23.0 mt -72.61 130.92 41.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 81.2 p -133.39 156.35 79.84 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-O 121.509 0.671 . . . . 0.0 111.188 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -48.26 -32.02 18.5 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.719 2.279 . . . . 0.0 112.287 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.31 -27.48 38.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.82 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 152.73 173.04 21.74 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . 0.416 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 53.0 Cg_endo -69.75 126.8 13.75 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.493 2.129 . . . . 0.0 112.386 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 7.7 mm -99.49 138.79 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.018 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . 0.412 ' CD2' ' OD1' ' A' ' 38' ' ' ASN . 5.6 m-85 -138.36 131.7 30.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.808 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -160.75 147.83 15.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.058 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 24.5 m -73.28 149.62 42.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.218 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . 0.421 ' CD1' ' HB3' ' A' ' 164' ' ' LYS . 49.1 mt -107.45 -32.87 7.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.0 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.43 ' HB1' ' CE ' ' A' ' 58' ' ' LYS . . . -174.36 129.61 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.122 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.64 112.94 24.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.981 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -96.26 97.57 9.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.763 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 47' ' ' GLY . 3.0 tpt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.622 0.248 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.434 ' CB ' ' O ' ' A' ' 165' ' ' SER . 11.6 ttp180 -72.56 66.25 0.7 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.761 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.97 155.0 32.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 4' ' ' PHE . 17.8 p90 -175.03 128.56 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.851 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.457 ' CD1' ' HB3' ' A' ' 44' ' ' LYS . 16.6 pt -87.36 132.25 33.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -130.8 170.89 13.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.452 ' CG2' HG23 ' A' ' 157' ' ' VAL . 41.5 mt -110.51 122.04 64.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.025 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -50.0 133.5 22.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.886 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.0 m -111.72 87.38 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 t -39.01 153.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 12' ' ' SER . 26.3 mt-10 -37.71 -50.1 1.18 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 11' ' ' GLU . 88.9 p -34.3 -44.99 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.79 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 16' ' ' ALA . 90.4 t -89.36 -62.84 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.119 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 13' ' ' VAL . 16.5 ttm180 -34.86 -58.82 0.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -38.18 83.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.774 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 13' ' ' VAL . . . -50.14 -67.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.8 mt -45.42 -41.58 9.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.995 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.4 t -59.31 -43.7 90.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.2 ttm-85 -53.26 -41.67 65.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.25 -46.77 69.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.675 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 59.0 mt-30 -55.69 -50.37 70.46 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -49.8 -42.41 46.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.786 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -67.89 -33.46 74.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.7 mt -71.91 -68.83 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.21 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.8 164.46 3.43 Favored Glycine 0 C--O 1.229 -0.167 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.32 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.2 p -109.9 43.49 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 110.758 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -64.35 -62.69 1.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -96.46 -47.01 6.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.438 ' HB3' ' CG2' ' A' ' 134' ' ' VAL . . . -89.82 142.96 27.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.967 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -96.29 104.57 16.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.8 mt -129.62 118.75 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.041 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -88.07 87.34 7.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.98 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.675 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 17.2 m-85 -59.24 164.1 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 35' ' ' GLU . 57.5 t -100.28 158.78 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.201 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.403 ' N ' HG12 ' A' ' 34' ' ' VAL . 8.6 mm-40 -50.4 159.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.082 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -69.73 -45.54 67.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -83.56 23.37 0.96 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -126.36 9.36 7.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -86.34 9.26 18.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.965 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -54.54 133.1 46.1 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.967 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.8 mt -69.72 120.37 17.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.35 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 84.0 m -71.95 105.55 3.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.5 tt -74.33 -53.1 10.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.987 0.422 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.462 ' HE2' ' CD1' ' A' ' 111' ' ' LEU . 21.6 tptt -144.87 121.19 10.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -84.07 129.57 34.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.818 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.447 ' CD2' HD12 ' A' ' 111' ' ' LEU . 14.8 mt -108.04 -48.86 3.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.799 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 83.97 -137.35 15.93 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.35 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.426 ' CD ' ' N ' ' A' ' 49' ' ' ILE . 3.4 tm-20 -65.29 140.49 58.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.077 0.465 . . . . 0.0 110.814 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.426 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 12.9 mt -155.5 158.52 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.073 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.6 p -98.42 148.58 23.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.108 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -52.33 -23.88 6.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.082 0.468 . . . . 0.0 111.117 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -81.42 -39.39 25.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.666 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -75.68 -33.09 60.36 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.801 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -42.63 -34.34 0.87 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.136 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -75.33 -38.45 60.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.877 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -54.21 -57.71 10.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.406 ' H ' ' CD1' ' A' ' 57' ' ' ILE . 4.0 mp -45.38 -45.93 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.201 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.452 ' HE3' ' CB ' ' A' ' 178' ' ' ALA . 60.6 mttp -53.14 -55.55 23.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.193 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 59' ' ' LYS . 2.7 mptp? -45.62 -54.76 7.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.859 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.8 mt -51.59 -48.12 36.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.225 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.411 HD11 ' CE1' ' A' ' 180' ' ' PHE . 26.7 mt -58.78 -47.78 83.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.073 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -52.68 -32.69 43.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.849 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -84.53 -60.29 2.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.43 HD13 ' CG1' ' A' ' 107' ' ' ILE . 61.5 mt -48.85 -60.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.088 0.471 . . . . 0.0 111.195 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.22 -13.38 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.053 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -96.57 -22.31 17.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.43 ' HG3' ' CD1' ' A' ' 68' ' ' TYR . 15.3 ptpt -90.28 -16.36 29.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.73 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.547 ' CE2' HG13 ' A' ' 103' ' ' ILE . 52.7 m-85 -103.1 168.7 9.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -112.33 -174.93 2.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.444 ' CG ' ' HA ' ' A' ' 158' ' ' GLU . 8.3 mptt -107.32 98.45 8.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.707 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -86.81 161.7 18.21 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.998 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -109.05 102.05 11.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 33.3 m -105.47 179.6 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.033 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -137.56 148.8 46.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.802 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.1 p -106.42 112.71 40.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.072 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.417 ' NE ' ' OE2' ' A' ' 95' ' ' GLU . 0.6 OUTLIER -156.88 152.59 26.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.1 139.99 5.53 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.633 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.405 HG21 ' N ' ' A' ' 79' ' ' GLY . 45.0 mt -134.24 134.67 55.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 0.0 111.068 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.463 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -115.01 156.61 15.55 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.618 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.6 m -126.48 161.28 32.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.75 0.309 . . . . 0.0 111.27 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.704 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 13.1 m-85 -143.55 154.04 59.33 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.775 0.798 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.0 Cg_endo -69.57 -25.3 8.01 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.341 -0.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -159.59 158.63 27.73 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.694 0.759 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -47.63 -61.74 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.648 2.232 . . . . 0.0 112.483 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -41.2 -33.97 0.42 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.758 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -134.51 88.32 2.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.2 t -85.28 125.4 40.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -123.47 -28.73 3.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 98.2 t -137.43 116.48 14.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.983 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 74.0 mt -88.37 132.11 34.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.068 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.704 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 43.0 p-90 -149.06 140.98 23.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.79 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.08 162.94 15.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.78 142.74 14.49 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.55 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 92.3 t -97.9 148.34 5.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.826 0.346 . . . . 0.0 111.272 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 96' ' ' ASN . 13.6 mm-40 -70.83 -176.7 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.468 ' C ' ' O ' ' A' ' 95' ' ' GLU . 3.4 t30 -32.3 94.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 95' ' ' GLU . 9.9 p-10 -114.35 36.99 3.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.806 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.402 ' CG ' ' H ' ' A' ' 99' ' ' ILE . 8.5 pt-20 -47.02 -55.2 8.61 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.402 ' H ' ' CG ' ' A' ' 98' ' ' GLU . 18.8 mm -49.98 -45.86 22.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 76.4 mt -72.44 -16.16 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.187 0.517 . . . . 0.0 111.195 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.52 ' HA ' ' CD2' ' A' ' 122' ' ' PHE . 0.6 OUTLIER -81.38 -57.45 3.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.935 179.745 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 101' ' ' LYS . 12.3 ptpt -56.87 -29.6 63.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.547 HG13 ' CE2' ' A' ' 68' ' ' TYR . 62.8 mt -72.79 -51.17 28.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.268 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.58 -38.06 59.25 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -38.61 66.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -65.0 -42.18 94.73 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.774 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.43 ' CG1' HD13 ' A' ' 64' ' ' ILE . 43.4 mt -62.81 -38.95 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 111.156 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 111' ' ' LEU . 33.5 t0 -74.17 -55.71 5.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 108' ' ' ASP . 0.4 OUTLIER -35.29 -41.69 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.814 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -75.07 -43.91 50.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.063 0.459 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.462 ' CD1' ' HE2' ' A' ' 44' ' ' LYS . 51.7 mt -56.18 -25.05 45.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -53.16 -34.15 55.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.98 0.419 . . . . 0.0 111.232 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -72.17 -48.35 43.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.23 -8.07 5.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.047 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 100.85 56.42 0.9 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.487 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -130.83 167.0 19.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.981 0.42 . . . . 0.0 110.792 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -82.17 147.22 29.14 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.953 0.406 . . . . 0.0 110.956 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.487 ' HD3' ' N ' ' A' ' 119' ' ' GLU . 0.5 OUTLIER -100.4 125.4 46.66 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.975 179.758 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.487 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 52.3 mt-10 -99.89 95.92 7.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -51.54 -63.68 4.49 Favored Glycine 0 C--O 1.229 -0.201 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.474 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -100.07 119.57 38.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.923 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.52 ' CD2' ' HA ' ' A' ' 101' ' ' LYS . 19.2 t80 -96.55 137.21 35.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.5 t -131.28 118.52 40.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -81.93 99.94 9.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -137.96 160.22 39.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.403 ' CD1' ' N ' ' A' ' 126' ' ' ILE . 2.0 mp -134.49 104.81 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.012 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 54.3 m -62.13 121.25 12.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.394 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 73.6 mt -85.72 -37.02 19.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.886 0.374 . . . . 0.0 110.748 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 173.41 164.19 28.26 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.485 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 77.6 mtt-85 -104.16 144.66 31.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 111.003 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 95.1 t -93.21 123.5 45.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.064 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -91.56 -58.2 2.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.827 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -156.13 138.64 14.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.438 ' CG2' ' HB3' ' A' ' 29' ' ' ALA . 1.9 p -138.72 153.0 25.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.126 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.404 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 75.7 tttt -109.21 -43.12 4.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.941 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -84.78 119.22 25.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.67 -57.91 2.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 47.3 mt -39.08 -56.81 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.001 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -40.08 -51.73 3.45 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.735 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 46.0 mt -46.71 -64.78 0.68 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.806 0.336 . . . . 0.0 110.743 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -60.23 -57.66 11.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.415 ' C ' ' O ' ' A' ' 141' ' ' ALA . 7.3 mmt -36.91 -37.1 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.983 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 146' ' ' GLU . 21.1 mtmt -83.35 -53.3 5.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 63.1 mt -40.9 -34.49 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.009 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.89 -36.82 49.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.838 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 143' ' ' LYS . 73.6 mt-10 -70.78 -48.89 51.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.663 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.441 ' N ' HD13 ' A' ' 147' ' ' LEU . 2.9 mp -86.48 14.92 6.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.864 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.79 -27.48 28.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.202 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -120.32 -16.1 8.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.666 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -46.86 111.49 0.4 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.811 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -69.72 137.52 52.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -102.12 -35.37 8.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 139.92 -177.12 20.79 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.483 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 30.1 p -138.25 169.4 17.85 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.799 0.333 . . . . 0.0 110.79 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . 0.416 ' CD1' HG21 ' A' ' 13' ' ' VAL . 55.1 p90 -173.93 176.45 2.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.035 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.425 ' CG2' ' HB3' ' A' ' 70' ' ' LYS . 70.6 mt -118.55 130.8 72.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.452 HG23 ' CG2' ' A' ' 7' ' ' ILE . 99.3 t -84.57 96.72 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.444 ' HA ' ' CG ' ' A' ' 70' ' ' LYS . 12.5 mt-10 -100.11 -68.46 0.81 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -90.36 161.61 15.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.079 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 84.2 mt -119.69 148.76 22.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -127.82 127.11 42.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.734 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 12.4 tp -108.27 115.87 30.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.805 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -113.96 162.21 16.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.472 ' CE ' ' HG2' ' A' ' 175' ' ' GLU . 0.2 OUTLIER -122.32 145.3 48.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.828 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' A' ' 2' ' ' ARG . 11.3 t -124.76 133.98 52.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.657 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 27.2 m -146.12 106.94 4.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.221 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.422 ' C ' HG21 ' A' ' 168' ' ' THR . 13.2 mt -75.43 134.78 40.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.029 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' THR . . . . . 0.422 HG21 ' C ' ' A' ' 167' ' ' LEU . 21.6 p -139.7 155.45 71.45 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 121.698 0.761 . . . . 0.0 111.161 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -48.1 -32.02 17.72 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.478 2.119 . . . . 0.0 112.541 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -80.04 -23.96 41.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 146.98 172.86 17.67 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.467 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.63 131.9 22.4 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.734 2.289 . . . . 0.0 112.36 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 46.3 mm -109.02 143.43 19.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -137.78 121.29 17.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.472 ' HG2' ' CE ' ' A' ' 164' ' ' LYS . 10.9 pt-20 -138.08 143.28 40.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.782 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 6.4 m -79.96 143.41 34.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 67.5 mt -116.67 -41.34 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.452 ' CB ' ' HE3' ' A' ' 58' ' ' LYS . . . -143.46 142.36 31.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.198 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -145.03 108.43 4.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.043 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.411 ' CE1' HD11 ' A' ' 61' ' ' LEU . 4.7 m-85 -99.34 97.63 8.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.843 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -100.79 111.75 24.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.119 0.485 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.439 ' CD1' ' HB3' ' A' ' 158' ' ' GLU . 21.2 mt -56.81 -63.21 1.28 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 2.2 t -62.43 147.55 48.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -57.51 155.6 9.3 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -63.92 166.15 7.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 33.0 m170 58.28 41.89 22.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.81 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.44 ' CG ' ' H ' ' A' ' 188' ' ' HIS . 8.0 p80 -60.11 -59.08 5.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.791 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . 0.44 ' H ' ' CG ' ' A' ' 187' ' ' HIS . 71.5 m-70 -124.78 137.38 54.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -88.59 114.08 24.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 24.0 m170 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 -179.917 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ptt? . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.605 0.241 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -83.03 75.98 9.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.16 155.02 40.7 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.158 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 4' ' ' PHE . 28.7 p90 -171.93 132.32 0.69 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.939 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 44' ' ' LYS . 39.0 pt -90.26 142.44 12.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.404 ' CB ' ' HB2' ' A' ' 40' ' ' HIS . . . -139.86 168.53 19.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.167 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.1 mt -105.33 128.16 59.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.082 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -58.83 122.36 13.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.773 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.459 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 35.3 m -104.78 90.93 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.237 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.5 t -39.46 160.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.973 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -45.45 -39.14 6.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.009 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.3 t -39.06 -45.77 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.415 ' O ' ' C ' ' A' ' 14' ' ' ARG . 70.3 t -78.89 -61.06 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' VAL . 68.9 mtt180 -36.4 -65.29 0.28 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -47.53 -43.54 25.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.751 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.67 -55.34 36.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.43 -50.87 71.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.6 t -53.47 -41.36 44.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.059 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -48.46 -45.4 36.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.703 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.71 -48.71 76.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.601 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 46.9 mt-30 -45.8 -57.7 4.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.792 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -41.7 -43.37 2.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.901 0.381 . . . . 0.0 111.099 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -73.17 -45.53 56.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.014 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.4 mt -53.33 -55.68 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.77 168.81 1.35 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.612 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.5 m -132.77 48.77 2.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.072 0.463 . . . . 0.0 110.827 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -84.99 -60.49 2.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.932 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -75.49 -48.66 21.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.982 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.453 ' HB2' ' CG2' ' A' ' 134' ' ' VAL . . . -97.52 155.31 17.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.509 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 2.2 tmtp? -104.49 84.93 2.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.2 mt -110.32 126.49 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.069 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -96.5 93.9 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.779 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.601 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 17.7 m-85 -61.35 176.08 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.008 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 42.0 t -122.21 154.96 27.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -45.44 165.95 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.719 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.0 mtm105 -76.61 -43.42 38.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.806 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -83.51 20.71 1.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.549 ' OD1' ' CD2' ' A' ' 174' ' ' TYR . 1.9 m-80 -117.84 -5.59 11.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.93 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -79.17 7.32 7.77 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.93 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.404 ' HB2' ' CB ' ' A' ' 6' ' ' ALA . 3.6 p-80 -43.08 110.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 64.9 mt -50.12 111.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.5 m -68.1 114.75 6.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.44 ' C ' HD21 ' A' ' 43' ' ' LEU . 5.4 tt -86.12 -56.28 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -136.01 115.65 12.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -85.57 126.08 33.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.407 ' CD2' HD12 ' A' ' 111' ' ' LEU . 26.4 mt -100.55 -66.04 0.93 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.09 -127.88 9.39 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.622 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -65.5 125.1 24.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.955 0.407 . . . . 0.0 110.962 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.44 HG21 ' N ' ' A' ' 50' ' ' THR . 18.3 mt -150.83 147.06 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.982 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' GLU . 28.0 p -96.3 131.74 42.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.144 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -42.67 -23.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.805 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 50' ' ' THR . 7.4 pt-20 -79.44 -43.75 22.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.99 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.429 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 8.5 mm-40 -79.08 -20.26 49.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.066 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.17 -54.81 26.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -44.84 -36.55 3.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' OE1' ' C ' ' A' ' 56' ' ' GLU . 0.9 OUTLIER -59.13 -60.19 4.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.0 -179.836 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.401 ' H ' ' CD1' ' A' ' 57' ' ' ILE . 3.9 mp -44.29 -58.48 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.097 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 59' ' ' LYS . 48.5 mttt -40.62 -63.45 0.64 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' LYS . 6.6 mmpt? -37.03 -58.1 0.8 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.777 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.7 mt -45.43 -44.74 3.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.27 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.7 mt -65.06 -35.67 81.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.97 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -57.1 -44.62 83.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.688 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -73.99 -60.35 2.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.47 ' HA ' ' CD ' ' A' ' 67' ' ' LYS . 96.7 mt -48.76 -54.29 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.94 -13.26 1.03 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' A' ' 66' ' ' LYS . 0.8 OUTLIER -102.69 -39.48 7.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.47 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 8.9 ptmt -67.56 -20.58 65.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.947 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -101.94 158.45 16.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -102.44 173.61 6.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -97.42 101.27 12.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.983 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.453 ' CB ' HG13 ' A' ' 99' ' ' ILE . 73.7 t60 -97.03 165.35 12.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -108.73 106.41 16.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.788 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.7 m -102.94 170.42 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.118 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -116.59 161.04 19.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.772 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.0 p -128.25 110.42 21.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.048 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 18.3 ttt180 -159.04 146.71 17.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.955 0.407 . . . . 0.0 111.018 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.415 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 105.72 148.71 17.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.321 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 22.4 mt -142.46 131.92 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.347 . . . . 0.0 111.198 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -117.04 158.81 14.3 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.461 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.456 ' CG1' HD22 ' A' ' 144' ' ' LEU . 32.7 m -128.25 149.27 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.02 0.438 . . . . 0.0 111.052 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.58 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 10.5 m-85 -132.15 147.94 67.81 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.846 0.831 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 53.8 Cg_endo -69.8 -36.32 2.38 Favored 'Cis proline' 0 C--N 1.343 0.275 0 C-N-CA 122.773 -1.761 . . . . 0.0 112.299 -0.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.46 159.56 32.47 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.723 0.773 . . . . 0.0 110.806 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -47.88 -53.96 5.87 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.606 2.204 . . . . 0.0 112.436 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -40.74 -42.24 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -133.44 80.57 1.88 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.06 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.8 t -71.46 132.27 33.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 20.4 mmm-85 -124.03 -42.41 2.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 71.9 t -129.88 125.24 60.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.287 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 57.2 mt -90.98 126.55 43.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.092 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.58 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 50.8 p-90 -140.91 140.59 34.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.009 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.69 166.63 12.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.003 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -127.31 152.54 18.78 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.658 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.461 HG11 ' N ' ' A' ' 95' ' ' GLU . 94.9 t -104.52 148.75 8.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.965 0.412 . . . . 0.0 111.201 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.477 ' O ' ' C ' ' A' ' 96' ' ' ASN . 68.8 mm-40 -71.34 -176.66 1.55 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.98 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.477 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.6 OUTLIER -32.02 95.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.969 0.414 . . . . 0.0 111.033 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 95' ' ' GLU . 1.2 p30 -109.26 37.18 2.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -38.04 -64.92 0.37 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.453 HG13 ' CB ' ' A' ' 71' ' ' HIS . 47.3 mm -43.82 -70.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.07 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 90.2 mt -45.12 -35.99 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -32.3 70.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.198 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 99' ' ' ILE . 1.4 mtpm? -69.29 -33.91 73.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.733 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 65.4 mt -75.89 -38.95 37.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.069 0.461 . . . . 0.0 111.238 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.46 -41.67 73.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 106' ' ' GLU . 14.5 pttp -78.01 -35.32 50.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.981 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 105' ' ' LYS . 3.2 tp10 -64.86 -42.09 95.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 55.6 mt -64.46 -39.93 87.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -71.23 -42.06 69.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -42.5 -28.86 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -95.05 -48.21 6.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.064 0.459 . . . . 0.0 110.911 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 114' ' ' LEU . 72.2 mt -52.0 -45.31 64.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.198 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 111' ' ' LEU . . . -37.77 -38.18 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.26 -43.15 82.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.046 0.45 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 111' ' ' LEU . 29.4 mt -66.65 -10.72 49.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 99.83 54.73 1.03 Allowed Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.279 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -121.96 151.69 40.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.962 0.411 . . . . 0.0 110.767 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 29.5 tttp -72.21 139.93 48.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -113.44 129.08 56.63 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -98.51 122.62 41.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.752 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -46.37 -69.08 0.9 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.565 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -98.98 139.15 35.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.897 0.379 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -97.73 135.52 39.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 73.4 t -134.62 116.84 22.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -84.92 104.78 15.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -133.05 169.1 17.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.436 HD11 ' N ' ' A' ' 126' ' ' ILE . 3.0 mp -139.95 114.57 7.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.173 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 79.7 m -68.59 112.18 5.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.058 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 49.5 mt -78.19 -39.22 41.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 178.08 176.45 46.06 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.553 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -118.35 146.37 44.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.996 0.427 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 90.1 t -95.68 122.92 47.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.265 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.1 -58.22 2.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.94 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.509 ' CE2' ' HG3' ' A' ' 30' ' ' LYS . 9.8 p90 -151.72 136.45 17.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.453 ' CG2' ' HB2' ' A' ' 29' ' ' ALA . 3.6 p -138.1 151.58 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.323 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -106.7 -47.45 3.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -76.71 105.09 7.57 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -70.8 -63.33 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.969 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 39.4 mt -44.69 -45.55 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.954 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -44.21 -41.6 6.45 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 69.8 mt -55.21 -62.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.92 0.391 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.41 -56.36 22.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.024 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.1 mmt -44.71 -36.25 3.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.765 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -72.72 -58.62 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.456 HD22 ' CG1' ' A' ' 80' ' ' VAL . 63.3 mt -38.73 -54.6 1.57 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.769 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -49.11 -45.52 43.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.924 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -62.27 -39.34 92.58 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.6 mp -105.12 36.66 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.812 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -98.04 -35.44 10.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 150' ' ' GLU . 3.1 m120 -110.61 -26.44 9.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.799 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 149' ' ' ASN . 6.0 tm-20 -37.5 112.86 0.23 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.042 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -71.98 163.96 26.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -124.04 -36.06 2.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.774 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 136.18 -160.02 24.54 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.63 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 80.1 p -143.26 174.87 10.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 110.897 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -173.46 164.37 4.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.819 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 51.1 mt -114.35 127.51 71.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.225 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 86.6 t -74.19 96.48 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.422 ' C ' HD12 ' A' ' 182' ' ' LEU . 6.4 mt-10 -93.18 -69.83 0.73 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -100.13 160.16 14.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 161' ' ' GLU . 57.8 mt -115.29 141.88 30.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.467 ' N ' HG22 ' A' ' 160' ' ' ILE . 0.0 OUTLIER -120.81 138.44 54.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . 0.418 ' N ' ' OE1' ' A' ' 161' ' ' GLU . 14.3 tp -120.06 115.6 24.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.976 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -114.77 159.76 20.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.848 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.445 ' HB3' ' CD1' ' A' ' 177' ' ' LEU . 17.7 pttt -128.67 148.57 50.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.013 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 7.5 m -116.4 126.93 54.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.754 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 99.6 m -131.71 97.29 4.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.291 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 11.7 mt -66.29 133.29 50.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.996 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 33.5 p -136.2 155.88 77.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 121.665 0.745 . . . . 0.0 111.381 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -48.08 -32.84 19.47 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.562 2.175 . . . . 0.0 112.334 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -80.36 -28.74 37.96 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 153.78 173.88 23.38 Favored Glycine 0 C--N 1.329 0.148 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.53 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.45 126.68 13.81 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.593 2.195 . . . . 0.0 112.296 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 14.6 mm -98.31 132.23 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.306 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . 0.549 ' CD2' ' OD1' ' A' ' 38' ' ' ASN . 3.7 m-85 -127.2 130.26 49.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.762 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -160.78 162.88 32.52 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 15.8 m -90.47 153.09 20.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.258 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 164' ' ' LYS . 35.6 mt -120.49 -43.9 2.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -135.69 135.2 39.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.002 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -133.51 109.44 9.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -112.1 98.82 7.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.973 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -100.16 124.04 45.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.422 HD12 ' C ' ' A' ' 158' ' ' GLU . 47.7 mt -49.63 -53.43 24.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 58.1 p -92.64 140.71 29.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.704 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -90.37 158.0 17.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -83.41 47.39 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.818 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -107.3 85.78 2.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.788 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -139.95 129.45 24.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -71.15 99.34 1.85 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -163.67 164.34 23.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 4.2 t60 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.873 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 47' ' ' GLY . 4.1 ptt? . . . . . 0 C--O 1.235 0.319 0 CA-C-O 120.689 0.28 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -84.42 81.94 8.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.979 0.419 . . . . 0.0 110.879 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.86 140.82 38.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.214 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -163.69 128.44 2.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.958 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.468 ' CG1' ' HB3' ' A' ' 44' ' ' LYS . 38.1 pt -85.3 131.6 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.107 0.48 . . . . 0.0 111.062 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -127.7 165.98 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 76.2 mt -106.32 127.46 61.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.993 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -56.57 127.23 30.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.784 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 10' ' ' SER . 2.6 m -105.38 90.14 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.113 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 9' ' ' VAL . 17.7 m -37.78 154.72 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.693 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -45.36 -39.11 6.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.656 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 t -41.9 -37.12 1.22 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 16' ' ' ALA . 42.5 t -88.91 -59.83 2.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 13' ' ' VAL . 58.3 mtt180 -36.65 -57.82 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -56.86 -34.74 68.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.025 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 13' ' ' VAL . . . -60.64 -58.82 6.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.002 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.4 mt -55.51 -49.43 72.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.006 0.431 . . . . 0.0 111.051 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.2 t -55.15 -38.94 48.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.972 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -52.42 -43.38 64.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.18 -48.0 59.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.476 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 47.4 mt-30 -46.4 -59.26 3.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.003 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -42.27 -43.49 3.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.988 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -69.88 -35.96 75.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.809 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.87 -58.34 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.16 145.43 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.446 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.7 p -112.31 48.09 1.02 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.839 0.352 . . . . 0.0 110.944 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -87.99 -58.29 2.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.942 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.88 -50.89 11.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.814 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.92 155.02 17.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.441 ' HD2' ' C ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -105.01 110.27 22.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.7 mt -132.99 129.45 57.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.17 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -93.08 85.96 5.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.866 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.476 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 17.8 m-85 -56.01 166.4 0.78 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.515 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 27.5 t -111.76 146.08 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.226 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -40.16 160.41 0.01 OUTLIER 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.082 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.471 ' HD2' ' N ' ' A' ' 36' ' ' ARG . 6.3 mpt_? -69.42 -45.64 68.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.05 17.9 1.48 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.733 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.42 ' CB ' HG12 ' A' ' 34' ' ' VAL . 2.2 m-80 -121.05 16.33 11.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.515 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 20.0 m-85 -96.33 8.24 44.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.942 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -50.32 128.19 19.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.6 mt -65.9 115.41 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.283 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.8 m -66.78 100.09 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.224 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.419 ' C ' HD23 ' A' ' 43' ' ' LEU . 4.0 tt -68.69 -53.63 21.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.951 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.468 ' HB3' ' CG1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -137.49 122.13 18.58 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -94.76 120.94 35.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.5 mt -103.19 -60.97 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.956 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 102.32 -124.82 8.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.332 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -69.2 130.48 42.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.839 0.352 . . . . 0.0 110.896 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.9 mt -155.62 143.01 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.098 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.6 p -93.34 146.54 23.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -52.13 -30.08 24.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -69.41 -34.24 74.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -88.03 -27.09 22.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.52 -59.83 3.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.064 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -46.27 -25.52 0.64 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.412 ' CD ' HD23 ' A' ' 114' ' ' LEU . 3.5 tt0 -72.21 -55.7 6.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.957 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.427 HG13 ' CD2' ' A' ' 111' ' ' LEU . 2.9 mp -47.72 -60.13 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -39.02 -64.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.9 mtmm -38.65 -58.82 1.0 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.797 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.9 mt -41.41 -50.66 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.007 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.2 mt -59.87 -50.33 74.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.028 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -40.43 -36.98 0.62 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.72 -53.16 5.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.062 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.0 mt -50.07 -55.51 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.389 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.45 -7.56 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.05 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -101.7 -37.51 8.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.988 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -82.79 -6.38 59.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.017 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.637 ' CD2' ' CG1' ' A' ' 103' ' ' ILE . 26.3 m-85 -110.48 160.89 16.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.811 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.92 170.43 7.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.795 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -113.52 111.33 21.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.06 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -99.96 176.71 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.015 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -108.24 98.07 7.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.106 0.479 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.3 m -96.52 177.94 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.018 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.407 ' CG ' ' HB3' ' A' ' 154' ' ' SER . 3.4 m120 -125.53 167.0 15.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.7 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.2 p -127.55 96.84 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.012 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -147.54 158.73 44.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.8 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.16 137.96 8.93 Favored Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.442 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.7 mt -139.35 137.77 40.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.06 0.457 . . . . 0.0 111.149 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.527 ' HA3' ' CZ2' ' A' ' 91' ' ' TRP . . . -123.13 162.75 16.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.392 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.3 m -132.02 155.79 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 111.143 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.51 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 11.9 m-85 -141.18 155.59 68.14 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.618 0.723 . . . . 0.0 110.947 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 52.8 Cg_endo -69.88 -22.19 9.88 Favored 'Cis proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.542 -1.857 . . . . 0.0 112.507 0.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.4 ' CG ' ' C ' ' A' ' 82' ' ' PRO . 0.6 OUTLIER -160.36 159.21 26.3 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.432 0.634 . . . . 0.0 111.114 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -47.95 -62.96 0.36 Allowed 'Trans proline' 0 C--O 1.23 0.081 0 C-N-CA 122.78 2.32 . . . . 0.0 112.328 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -45.03 -33.66 2.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -128.17 92.03 3.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.731 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.3 t -86.02 130.85 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.172 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -128.4 -43.49 1.44 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.3 t -129.61 117.36 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.072 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 86.0 mt -88.09 128.41 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.055 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.527 ' CZ2' ' HA3' ' A' ' 79' ' ' GLY . 61.3 p-90 -140.6 147.99 40.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.021 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -97.88 166.89 11.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -125.81 154.91 18.88 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.506 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.412 HG11 ' N ' ' A' ' 95' ' ' GLU . 71.8 t -107.93 147.38 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 111.17 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.491 ' O ' ' C ' ' A' ' 96' ' ' ASN . 9.8 mt-10 -70.85 -176.35 1.32 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.491 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.8 p30 -29.14 94.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.008 0.432 . . . . 0.0 110.884 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 95' ' ' GLU . 1.0 OUTLIER -104.02 48.86 0.83 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.823 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -51.98 -57.32 9.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 29.7 mm -55.41 -63.05 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.169 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.2 mt -48.85 -19.51 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -85.09 -67.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.39 -20.25 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.926 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.637 ' CG1' ' CD2' ' A' ' 68' ' ' TYR . 60.8 mt -89.51 -42.88 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.39 -31.86 68.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.945 0.403 . . . . 0.0 111.053 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -74.32 -48.08 30.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -62.12 -41.58 98.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 62.1 mt -55.67 -40.01 58.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -80.26 -40.56 26.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -50.61 -27.99 7.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -89.35 -37.29 14.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.44 HD22 ' CD1' ' A' ' 114' ' ' LEU . 57.7 mt -68.73 -28.89 67.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.22 -31.74 6.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.062 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -76.69 -34.63 58.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.936 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.44 ' CD1' HD22 ' A' ' 111' ' ' LEU . 58.2 mt -69.41 -27.35 65.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.977 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 126.49 49.62 0.18 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.481 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -131.97 -176.74 4.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -130.36 144.59 51.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.742 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -113.11 128.35 56.46 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.787 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -99.83 99.55 10.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.976 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -38.67 -46.54 2.18 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.397 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -80.44 92.1 5.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -95.83 137.03 35.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 87.9 t -137.34 112.67 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.224 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.93 105.25 7.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.105 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.4 ' C ' HD11 ' A' ' 126' ' ' ILE . 9.2 p-80 -136.75 164.29 28.62 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.483 HD11 ' N ' ' A' ' 126' ' ' ILE . 2.5 mp -134.93 105.14 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 69.6 m -59.94 115.13 3.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 40.7 mt -79.15 -33.39 44.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 170.71 179.31 41.94 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.351 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -121.17 144.96 48.3 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.952 0.406 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 69.8 t -92.31 130.69 41.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.245 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -99.44 -54.35 2.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.797 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.482 ' O ' ' CD1' ' A' ' 133' ' ' PHE . 6.9 p90 -153.57 133.37 13.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.79 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.459 ' CG2' ' N ' ' A' ' 135' ' ' LYS . 2.3 p -133.0 157.56 43.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.047 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.459 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 9.0 mtpm? -118.92 -41.47 2.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.993 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -78.45 97.27 5.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.69 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -63.17 -66.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 32.4 mt -43.82 -51.45 7.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.019 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -41.3 -48.28 4.56 Favored Glycine 0 CA--C 1.517 0.164 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.275 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 84.8 mt -43.92 -60.78 1.68 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.712 0.291 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -68.38 -57.74 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.187 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 10.7 mmt -40.37 -39.04 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.765 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 146' ' ' GLU . 15.6 ttmt -69.51 -57.36 5.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 61.1 mt -40.05 -49.57 2.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -51.17 -38.53 52.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.016 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 143' ' ' LYS . 10.2 mm-40 -71.77 -33.86 68.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.003 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 3.3 mp -107.22 37.49 2.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.027 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -106.93 -33.71 7.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.243 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -113.26 -16.52 12.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.708 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -50.54 111.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.841 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.63 153.07 42.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.792 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -113.82 -35.46 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 139.93 -164.16 26.15 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.593 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.407 ' HB3' ' CG ' ' A' ' 74' ' ' ASN . 54.1 p -143.58 172.25 13.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.599 0.238 . . . . 0.0 111.009 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -173.43 172.83 3.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.97 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 34.1 mt -116.62 131.43 69.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.1 0.476 . . . . 0.0 111.126 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 54.8 t -87.6 92.66 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.192 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -96.86 -70.51 0.71 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.935 0.398 . . . . 0.0 111.046 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 180' ' ' PHE . . . -88.54 178.36 6.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.995 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 161' ' ' GLU . 92.5 mt -132.08 156.72 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.441 ' N ' HG22 ' A' ' 160' ' ' ILE . 47.6 tt0 -137.31 117.47 13.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.779 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 28.3 tp -100.24 128.08 46.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -121.17 160.1 24.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.008 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -125.26 129.46 50.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.955 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.425 ' OG ' ' CZ ' ' A' ' 174' ' ' TYR . 1.6 m -105.46 128.9 53.8 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 85.2 m -134.13 99.93 4.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.261 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.44 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 25.1 mt -70.26 133.19 46.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 36.4 p -137.87 157.06 73.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.486 0.66 . . . . 0.0 111.235 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -48.1 -31.77 17.13 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.549 2.166 . . . . 0.0 112.368 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -80.47 -24.58 39.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 148.59 173.39 19.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.588 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . 0.44 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 52.8 Cg_endo -69.85 126.49 13.31 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.611 2.207 . . . . 0.0 112.231 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 14.0 mm -99.62 139.52 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.181 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . 0.425 ' CZ ' ' OG ' ' A' ' 165' ' ' SER . 5.1 m-85 -133.92 121.22 21.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -146.54 140.61 26.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.686 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 11.9 m -71.98 153.96 41.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.239 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 39.7 mt -117.05 -44.72 2.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.484 ' HB1' ' CZ ' ' A' ' 180' ' ' PHE . . . -142.15 134.67 28.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.164 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' ARG . . . . . 0.426 ' NH1' ' HB3' ' A' ' 179' ' ' ARG . 11.8 mtp-105 -122.19 108.2 13.03 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.789 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.484 ' CZ ' ' HB1' ' A' ' 178' ' ' ALA . 30.3 m-85 -111.29 99.46 8.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -97.25 136.77 37.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.955 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 183' ' ' SER . 11.4 mt -119.57 -33.88 3.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 182' ' ' LEU . 4.0 m -36.31 139.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.969 0.414 . . . . 0.0 110.937 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -134.09 -48.22 0.79 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.833 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -39.46 112.98 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 187' ' ' HIS . 13.1 t-160 -96.53 117.39 30.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 186' ' ' HIS . 13.8 p80 -36.29 109.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -86.14 176.13 8.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -100.01 -43.88 6.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.858 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 39.1 t60 . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 120.896 0.379 . . . . 0.0 110.719 -179.906 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 120.655 0.264 . . . . 0.0 110.755 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -95.5 95.88 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.947 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.437 ' CB ' HD13 ' A' ' 49' ' ' ILE . . . -94.29 151.27 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.177 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -157.1 141.56 16.59 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.5 pt -94.63 116.18 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.328 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -112.2 162.69 15.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.22 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.3 mt -106.04 125.3 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.162 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.82 126.24 19.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.862 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 10' ' ' SER . 3.5 m -105.94 86.06 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 9' ' ' VAL . 23.0 t -36.05 151.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.886 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -41.21 -43.6 2.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.949 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.8 p -39.65 -46.82 1.89 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.818 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.5 t -77.79 -54.59 12.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.174 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.1 mtt180 -41.79 -53.68 3.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -38.41 76.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.973 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.23 -67.41 0.38 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.319 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.6 mt -49.63 -42.38 44.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.737 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.3 t -60.73 -37.02 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.4 ttm-85 -55.16 -40.51 70.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.21 -47.7 70.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.244 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.499 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 51.3 mt-30 -50.78 -58.19 6.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.023 0.44 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -43.4 -32.15 0.8 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.772 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -84.43 -39.2 19.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.864 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 95.4 mt -53.25 -50.85 44.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.08 157.36 0.09 OUTLIER Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.397 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.6 p -126.32 41.41 3.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.021 0.439 . . . . 0.0 110.702 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -78.95 -61.48 2.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.062 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -77.59 -44.65 27.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.31 162.77 12.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.425 ' HG2' ' CE2' ' A' ' 133' ' ' PHE . 0.1 OUTLIER -119.85 92.2 3.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.811 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.9 mt -114.2 128.78 71.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.081 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HE3' ' C ' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -90.85 84.52 5.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.75 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.499 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 13.0 m-85 -56.27 179.1 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.955 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.586 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 61.6 t -120.07 149.71 22.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.181 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -44.65 163.63 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -71.46 -43.94 65.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -83.61 23.93 0.91 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.792 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.407 ' CB ' HG12 ' A' ' 34' ' ' VAL . 2.4 m-80 -128.04 13.1 6.73 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.586 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 38.1 m-85 -96.07 5.18 51.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.811 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -51.62 126.62 18.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.758 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 63.9 mt -57.31 123.08 7.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.313 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.1 m -76.56 88.84 3.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.983 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.405 ' C ' HD23 ' A' ' 43' ' ' LEU . 4.4 tt -45.86 -57.89 3.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -151.61 147.69 27.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.006 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -99.24 133.11 43.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.5 mt -103.9 -56.95 2.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.046 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.0 -135.32 12.12 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.414 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -67.77 130.11 41.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.876 0.37 . . . . 0.0 110.798 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.455 HG21 ' N ' ' A' ' 50' ' ' THR . 24.1 mt -145.27 146.71 19.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.234 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.455 ' N ' HG21 ' A' ' 49' ' ' ILE . 60.2 p -92.85 138.34 31.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.092 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -39.91 -36.78 0.49 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -70.93 -51.71 24.34 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.059 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -58.77 -36.56 74.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -37.45 -57.11 0.95 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.054 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.521 ' CG ' ' N ' ' A' ' 56' ' ' GLU . 4.6 pt-20 -50.14 -49.49 51.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.779 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.521 ' N ' ' CG ' ' A' ' 55' ' ' GLU . 11.0 tp10 -42.37 -63.94 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.8 mp -43.77 -58.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.047 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -42.42 -65.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.007 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -41.06 -61.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.3 mt -38.6 -49.05 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 48.2 mt -59.95 -53.19 60.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.944 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -39.72 -37.46 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -80.99 -56.42 4.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.062 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 67' ' ' LYS . 69.7 mt -54.89 -64.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -46.14 -20.61 0.11 Allowed 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -94.9 -29.21 14.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.703 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -74.98 -16.2 60.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.881 -179.847 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -105.91 160.76 15.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.758 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -102.85 -174.99 2.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.818 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.9 110.5 20.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.932 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.592 ' CD2' ' CG1' ' A' ' 99' ' ' ILE . 1.9 t60 -99.07 141.89 31.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.831 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -107.29 102.44 11.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.987 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.0 m -107.49 177.12 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.197 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 75' ' ' VAL . 32.3 t-20 -120.1 154.55 34.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.026 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.486 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 1.9 p -119.82 108.78 24.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.092 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.3 ttp85 -160.31 158.47 29.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.064 0.459 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.35 148.12 19.55 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.544 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.0 mt -141.79 145.21 24.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.868 0.366 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.548 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -123.03 171.91 15.8 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.42 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.8 m -139.8 164.39 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.783 0.325 . . . . 0.0 111.223 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.653 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 10.4 m-85 -149.81 154.31 37.26 Favored Pre-proline 0 C--O 1.234 0.28 0 CA-C-O 121.691 0.757 . . . . 0.0 110.696 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.1 Cg_endo -69.96 -20.16 11.11 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.552 -1.853 . . . . 0.0 112.389 0.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -163.38 160.33 18.09 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.461 0.648 . . . . 0.0 110.915 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -48.15 -58.0 2.01 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.601 2.201 . . . . 0.0 112.404 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -43.78 -35.47 1.9 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.067 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -134.5 101.53 5.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.001 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 87.8 t -91.94 131.55 38.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.206 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -128.72 -33.28 2.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.978 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.6 t -136.04 119.3 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 70.0 mt -87.77 128.32 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.653 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 23.5 p-90 -145.24 144.9 31.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.938 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.82 167.15 11.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.88 152.41 17.21 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.621 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.3 t -103.61 144.62 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.701 0.286 . . . . 0.0 111.179 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.538 ' O ' ' C ' ' A' ' 96' ' ' ASN . 7.8 mm-40 -73.21 -175.97 2.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.784 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.538 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.4 p30 -25.79 105.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.996 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.33 52.83 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -57.51 -54.99 40.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.784 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.592 ' CG1' ' CD2' ' A' ' 71' ' ' HIS . 29.0 mm -64.48 -64.41 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.992 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 94.0 mt -38.07 -33.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.185 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -69.82 -54.84 11.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.103 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -46.16 -50.86 15.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.8 mt -60.74 -45.27 98.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.073 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.96 -35.79 75.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -75.86 -41.75 51.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -64.19 -45.59 87.68 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.766 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 62.4 mt -56.87 -33.38 41.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.217 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.435 ' OD1' ' C ' ' A' ' 108' ' ' ASP . 15.5 t0 -80.96 -57.22 3.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 108' ' ' ASP . 0.8 OUTLIER -36.36 -44.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.026 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -69.28 -55.54 10.21 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 27.4 mt -48.28 -37.27 15.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.073 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -46.79 -33.54 4.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -30.14 57.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.928 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.475 ' CD2' ' HG2' ' A' ' 56' ' ' GLU . 70.5 mt -75.26 -27.35 59.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 126.52 44.3 0.25 Allowed Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.413 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -120.69 168.24 11.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.916 0.388 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -80.68 156.1 26.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.487 ' HD3' ' N ' ' A' ' 119' ' ' GLU . 0.6 OUTLIER -100.6 125.36 46.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.647 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.487 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 39.6 mt-10 -99.39 93.97 6.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.736 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -50.99 -62.45 5.33 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.367 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -99.74 135.15 41.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.99 0.424 . . . . 0.0 110.817 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -92.01 153.09 19.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 84.5 t -139.31 129.85 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -115.6 95.65 5.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.077 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.417 ' CD2' ' C ' ' A' ' 125' ' ' HIS . 1.7 p-80 -138.54 167.61 21.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.732 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.514 HD11 ' N ' ' A' ' 126' ' ' ILE . 2.3 mp -135.11 103.75 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.001 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 50.7 m -60.54 110.41 1.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.026 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 47.0 mt -77.17 -42.12 38.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 179.49 -174.73 46.45 Favored Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.408 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -125.05 152.13 44.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.341 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 60.0 t -97.91 121.92 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.171 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -91.88 -59.11 2.2 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.425 ' CE2' ' HG2' ' A' ' 30' ' ' LYS . 24.8 p90 -150.38 135.43 17.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.015 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.3 p -138.6 150.78 23.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.366 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -110.03 -48.65 3.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -83.0 99.01 9.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 138' ' ' LEU . 36.5 mmtt -66.59 -61.23 2.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.801 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 137' ' ' LYS . 28.7 mt -35.5 -50.69 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.055 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -45.5 -49.92 10.97 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.813 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 23.5 mt -44.0 -58.59 2.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.702 0.287 . . . . 0.0 110.805 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 143' ' ' LYS . . . -67.05 -60.87 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.374 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 141' ' ' ALA . 5.6 mmt -38.21 -30.67 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 141' ' ' ALA . 1.3 ttmp? -79.29 -55.77 4.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.791 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 148' ' ' ALA . 73.8 mt -41.03 -51.64 3.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.058 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -51.88 -40.45 60.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.962 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -67.82 -46.82 70.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.776 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 6.7 mp -84.95 2.04 44.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 144' ' ' LEU . . . -70.92 -30.16 66.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 150' ' ' GLU . 73.1 m-20 -113.12 -27.08 8.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 149' ' ' ASN . 10.9 tp10 -37.18 107.04 0.05 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.21 158.46 35.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.753 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -121.45 -38.84 2.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . 0.403 ' O ' ' CG1' ' A' ' 75' ' ' VAL . . . 134.32 -169.69 22.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.486 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 25.4 p -134.18 164.86 26.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.977 0.418 . . . . 0.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -164.98 167.54 18.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.7 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 18.2 mt -112.51 123.31 68.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 64.2 t -83.41 97.44 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.066 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -99.08 -68.81 0.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.133 0.492 . . . . 0.0 110.796 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -83.13 173.34 11.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.126 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . 0.472 HG23 ' N ' ' A' ' 161' ' ' GLU . 70.4 mt -129.7 152.49 37.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.472 ' N ' HG23 ' A' ' 160' ' ' ILE . 8.8 tt0 -126.93 134.83 50.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 18.5 tp -123.38 118.12 26.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.931 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -121.45 163.76 18.25 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -109.91 174.31 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.776 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 30.0 t -147.8 117.64 7.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.779 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 89.6 m -129.9 98.35 4.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.148 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 13.3 mt -70.18 134.85 48.51 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.19 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' THR . . . . . 0.425 HG23 ' C ' ' A' ' 167' ' ' LEU . 30.4 p -139.48 154.63 71.72 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.487 0.66 . . . . 0.0 111.245 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -47.78 -33.19 18.61 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.845 2.364 . . . . 0.0 112.361 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -80.07 -27.28 39.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.727 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 152.34 169.84 18.17 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . 0.46 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 54.5 Cg_endo -69.75 131.88 22.16 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.515 2.143 . . . . 0.0 112.506 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 28.0 mm -103.87 134.89 43.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -125.09 135.73 52.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.784 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -158.43 138.85 12.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.67 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.415 HG22 ' CG ' ' A' ' 179' ' ' ARG . 7.2 m -71.76 147.05 47.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.096 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 28.1 mt -117.68 -39.47 3.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.044 0.449 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -146.54 137.48 24.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.108 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' ARG . . . . . 0.415 ' CG ' HG22 ' A' ' 176' ' ' THR . 32.2 mtm180 -136.08 108.87 7.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.049 0.452 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -109.59 99.84 8.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -99.46 135.24 41.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.764 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 83.7 mt -81.79 -64.5 1.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.963 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' SER . . . . . 0.557 ' HB2' ' CE1' ' A' ' 185' ' ' HIS . 47.8 m -136.64 -178.46 5.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.966 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -118.93 45.0 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.783 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 183' ' ' SER . 18.6 p-80 -105.15 42.99 1.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -129.57 -38.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.038 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -65.09 119.45 10.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.707 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.8 150.38 42.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -94.69 124.27 38.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.756 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.011 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptt? . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.634 0.254 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -82.96 74.25 9.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.5 147.56 33.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.234 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -161.13 138.56 9.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.933 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 21.4 pt -90.28 132.47 34.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.189 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.56 165.13 25.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.998 0.427 . . . . 0.0 110.96 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.454 ' CG2' HG22 ' A' ' 157' ' ' VAL . 84.5 mt -111.02 118.29 57.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.064 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -45.24 139.5 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.986 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.79 90.58 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.941 0.4 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -38.06 157.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.03 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 13' ' ' VAL . 44.1 mt-10 -47.9 -48.68 31.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.861 0.362 . . . . 0.0 110.804 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 11' ' ' GLU . 24.6 p -34.56 -34.84 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.906 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 11' ' ' GLU . 93.4 t -89.83 -58.43 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -38.82 -58.73 1.04 Allowed 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -49.48 -46.05 47.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.735 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.06 -66.16 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.1 mt -49.03 -50.98 33.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.118 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.5 t -59.94 -38.69 77.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.159 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 19' ' ' ARG . 4.6 mtp-105 -57.84 -32.42 67.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.831 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.33 -47.88 25.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.105 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.702 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 52.3 mt-30 -50.13 -56.0 12.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -42.38 -37.99 1.73 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.669 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -75.79 -31.73 59.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.05 0.452 . . . . 0.0 111.06 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' GLN . 83.6 mt -72.02 -52.19 26.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.029 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.48 169.07 0.13 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.594 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.2 p -125.07 50.91 1.71 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.875 0.369 . . . . 0.0 110.765 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.58 -62.46 1.64 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.751 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -79.31 -48.45 14.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.711 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.47 ' HB3' ' CG2' ' A' ' 134' ' ' VAL . . . -100.17 151.33 21.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.521 ' HG2' ' CZ ' ' A' ' 133' ' ' PHE . 9.5 tptm -105.96 87.54 2.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.803 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.7 mt -104.97 124.89 59.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.212 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -83.34 81.74 8.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.008 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.702 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 13.2 m-85 -58.48 172.3 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.599 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 62.1 t -109.39 147.63 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.278 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -50.74 176.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.084 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.548 ' HA ' ' CD2' ' A' ' 39' ' ' PHE . 40.6 mtt180 -84.34 -43.01 15.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.8 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -81.59 17.44 1.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.751 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -131.84 13.09 4.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.767 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.599 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 11.3 m-85 -85.65 5.69 30.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.845 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -52.98 149.94 6.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.796 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.1 mt -87.45 120.7 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.192 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.0 m -68.36 110.66 4.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.222 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.413 ' C ' HD21 ' A' ' 43' ' ' LEU . 4.4 tt -71.76 -46.28 58.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.493 ' CD ' HD22 ' A' ' 46' ' ' LEU . 6.2 tmtm? -162.4 114.45 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.079 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -70.76 132.67 45.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.82 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.493 HD22 ' CD ' ' A' ' 44' ' ' LYS . 16.1 mt -102.03 -61.2 1.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.03 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.43 -130.89 10.4 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.493 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -72.75 133.66 44.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.361 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.405 ' CD1' HD13 ' A' ' 46' ' ' LEU . 7.5 mt -152.37 144.59 15.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.9 p -95.08 147.13 23.75 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -50.81 -19.36 0.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.0 -33.37 39.37 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' GLU . 30.7 mm-40 -87.21 -34.19 19.07 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.02 -43.46 0.73 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -68.23 -40.67 81.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' GLN . 34.9 mm-40 -50.91 -38.38 49.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.6 mp -69.2 -53.76 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.065 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.464 ' CE ' ' HB3' ' A' ' 178' ' ' ALA . 41.1 mttp -47.61 -42.11 23.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -67.33 -64.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.697 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.6 mt -40.36 -45.55 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.113 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.8 mt -59.87 -45.89 91.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -48.47 -43.66 34.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.869 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -71.44 -44.94 63.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.017 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 66' ' ' LYS . 84.2 mt -66.22 -71.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -42.5 -23.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.013 0.435 . . . . 0.0 111.153 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 64' ' ' ILE . 18.1 ttpp -80.28 -50.73 9.81 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.765 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.57 ' HG3' ' CD1' ' A' ' 68' ' ' TYR . 5.5 ptpp? -60.69 -15.72 31.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.852 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.57 ' CD1' ' HG3' ' A' ' 67' ' ' LYS . 67.3 m-85 -104.91 173.11 6.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.172 0.51 . . . . 0.0 110.714 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -127.17 178.75 5.82 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 7.9 ptpt -90.18 113.43 25.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -96.3 152.98 18.08 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -99.44 100.33 11.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 31.1 m -108.9 172.8 2.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.132 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.46 ' CG ' ' N ' ' A' ' 75' ' ' VAL . 6.7 t-20 -122.84 167.19 13.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.001 0.429 . . . . 0.0 110.932 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.46 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 2.3 p -129.81 115.0 32.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.231 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -166.16 146.69 6.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.977 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.02 133.29 7.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.677 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 33.6 mt -126.64 141.4 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.907 0.384 . . . . 0.0 111.164 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -118.68 153.14 17.11 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.611 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.2 m -128.25 154.83 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.958 0.408 . . . . 0.0 111.227 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.525 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 12.5 m-85 -141.18 154.3 67.58 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.51 0.671 . . . . 0.0 111.075 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.3 Cg_endo -69.82 -23.62 9.02 Favored 'Cis proline' 0 C--N 1.34 0.121 0 C-N-CA 122.611 -1.829 . . . . 0.0 112.402 0.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.55 160.82 25.74 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.537 0.684 . . . . 0.0 110.947 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -47.68 -63.59 0.31 Allowed 'Trans proline' 0 N--CA 1.464 -0.21 0 C-N-CA 122.664 2.243 . . . . 0.0 112.445 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -41.06 -35.97 0.63 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -130.24 90.14 2.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.416 ' CG2' HD12 ' A' ' 144' ' ' LEU . 76.7 t -85.83 131.2 35.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.153 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -127.07 -39.42 1.93 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.024 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 53.1 t -130.13 115.91 34.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 82.4 mt -90.09 125.35 42.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.157 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.504 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 37.3 p-90 -138.94 145.96 40.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.973 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.58 163.07 13.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.14 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.49 143.17 14.55 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.623 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.456 HG11 ' N ' ' A' ' 95' ' ' GLU . 95.2 t -100.72 149.87 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.86 0.362 . . . . 0.0 111.179 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.544 ' O ' ' C ' ' A' ' 96' ' ' ASN . 18.4 mt-10 -71.28 -176.11 1.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.739 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.544 ' C ' ' O ' ' A' ' 95' ' ' GLU . 20.4 p-10 -26.12 115.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.089 0.471 . . . . 0.0 110.641 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 98' ' ' GLU . 12.2 m-20 -120.9 26.72 8.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.823 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 97' ' ' ASP . 7.2 mt-10 -36.71 -64.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.1 mm -55.11 -51.23 56.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.886 0.374 . . . . 0.0 111.085 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 80.9 mt -58.72 -23.12 22.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.014 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -79.65 -67.32 0.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.782 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -44.33 -30.71 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.8 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 57.6 mt -76.39 -38.78 33.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.65 -37.59 88.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -35.47 72.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -73.51 -38.95 65.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 64.5 mt -66.31 -37.83 80.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -85.04 -26.88 26.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.91 -40.59 96.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.946 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -73.23 -50.02 24.7 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.025 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 36.6 mt -55.48 -31.08 61.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -45.56 -25.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.047 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.36 -37.01 28.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.988 0.423 . . . . 0.0 110.818 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.31 -25.3 65.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 128.3 50.76 0.14 Allowed Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.299 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -133.47 -175.65 3.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.0 0.429 . . . . 0.0 110.812 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -133.76 144.63 49.17 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.954 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -109.95 143.13 40.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.964 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -99.5 110.27 22.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -38.89 -55.67 2.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.416 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -99.52 117.54 34.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.626 0.25 . . . . 0.0 110.996 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -98.03 148.29 23.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.912 0.387 . . . . 0.0 111.04 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 56.5 t -142.05 113.15 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.09 112.82 16.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.402 ' C ' HD13 ' A' ' 126' ' ' ILE . 2.7 p-80 -147.78 165.68 29.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.472 ' N ' HD13 ' A' ' 126' ' ' ILE . 2.1 mp -134.89 105.87 6.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.975 0.417 . . . . 0.0 111.108 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 67.4 m -62.46 104.98 0.56 Allowed 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 33.9 mt -73.12 -35.72 66.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.968 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 164.42 134.08 1.59 Allowed Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.489 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.3 ptt85 -93.75 141.38 28.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.684 0.278 . . . . 0.0 110.905 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 62.8 t -70.52 152.27 8.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -119.36 -48.51 2.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.521 ' CZ ' ' HG2' ' A' ' 30' ' ' LYS . 30.4 p90 -163.94 115.99 1.38 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 29' ' ' ALA . 2.9 p -123.18 158.16 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.447 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 1.6 mptp? -105.7 -36.05 7.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.777 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -95.64 111.37 23.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -72.89 -61.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.411 ' C ' ' HG3' ' A' ' 142' ' ' MET . 21.1 mt -40.2 -57.77 1.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 138' ' ' LEU . . . -38.05 -36.0 0.31 Allowed Glycine 0 C--O 1.229 -0.171 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.546 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 67.6 mt -58.0 -47.43 83.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.8 0.333 . . . . 0.0 110.998 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 143' ' ' LYS . . . -83.11 -54.74 4.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.411 ' HG3' ' C ' ' A' ' 138' ' ' LEU . 2.5 mtt -40.12 -25.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.725 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 141' ' ' ALA . 19.2 ttmm -91.42 -58.08 2.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 143' ' ' LYS . 51.4 mt -36.99 -43.46 0.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.746 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -55.42 -47.43 75.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.002 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 143' ' ' LYS . 5.4 mm-40 -61.32 -42.74 99.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.75 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.445 ' CD2' HD11 ' A' ' 24' ' ' ILE . 7.5 mp -98.01 33.74 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.951 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -96.93 -39.21 9.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.054 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 150' ' ' GLU . 3.1 m120 -109.11 -21.62 12.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 149' ' ' ASN . 8.4 tm-20 -38.14 123.43 1.12 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.802 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -79.21 156.67 28.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -120.39 -35.76 3.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.125 0.488 . . . . 0.0 110.718 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 133.07 -163.82 24.23 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.41 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.8 p -140.55 174.7 10.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.736 0.303 . . . . 0.0 111.033 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -174.3 165.16 4.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.758 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 75.6 mt -114.27 130.49 68.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.031 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.454 HG22 ' CG2' ' A' ' 7' ' ' ILE . 45.1 t -86.59 100.36 9.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.207 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -91.74 -69.03 0.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.016 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -97.1 -175.02 3.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 60.4 mt -131.24 156.47 42.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -134.0 128.28 34.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.735 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 15.2 tp -110.82 121.43 45.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -114.22 162.02 17.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.449 ' HB2' ' CD1' ' A' ' 177' ' ' LEU . 13.0 ttpt -130.37 141.88 50.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 4.2 t -115.89 132.12 56.74 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.76 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 44.2 m -130.64 98.27 4.6 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 15.2 mt -68.0 133.74 49.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 30.0 p -138.28 155.24 74.19 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.435 0.636 . . . . 0.0 111.29 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -47.95 -32.56 18.16 Favored 'Trans proline' 0 N--CA 1.467 -0.083 0 C-N-CA 122.766 2.31 . . . . 0.0 112.256 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -80.2 -28.12 38.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 153.36 171.4 20.55 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.626 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.86 128.52 16.05 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.718 2.279 . . . . 0.0 112.207 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 37.6 mm -105.91 136.76 38.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.157 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -125.6 136.51 53.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 176' ' ' THR . 5.4 tp10 -159.41 152.08 21.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.072 0.463 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.407 ' N ' ' HG3' ' A' ' 175' ' ' GLU . 15.2 m -82.78 144.23 30.3 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.407 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . 0.449 ' CD1' ' HB2' ' A' ' 164' ' ' LYS . 21.5 mt -109.49 -40.31 4.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.083 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.464 ' HB3' ' CE ' ' A' ' 58' ' ' LYS . . . -155.47 138.54 15.51 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' ARG . . . . . 0.413 ' NH1' ' HB3' ' A' ' 179' ' ' ARG . 14.9 mtp-105 -130.7 111.55 12.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.778 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -98.64 99.63 10.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . 0.439 ' HG2' ' CB ' ' A' ' 185' ' ' HIS . 11.2 tp10 -97.08 135.11 39.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 20.9 mt -101.03 -49.06 4.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 184' ' ' GLU . 1.6 t -143.75 -177.0 5.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.874 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 183' ' ' SER . 25.9 mt-10 36.76 49.58 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 185' ' ' HIS . 0.4 OUTLIER -74.88 146.46 41.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.777 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -84.2 175.98 9.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.019 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -104.78 87.92 2.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.715 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 2.0 t60 38.94 45.59 0.99 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.841 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -49.07 124.01 8.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.819 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.938 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.405 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 120.914 0.388 . . . . 0.0 110.804 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 46.0 mtm-85 -94.79 90.16 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.461 ' HB2' ' CD1' ' A' ' 49' ' ' ILE . . . -90.89 146.74 23.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 4' ' ' PHE . 17.5 p90 -159.28 138.3 11.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.694 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.0 pt -93.38 126.96 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.84 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -123.4 167.0 14.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.111 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 57.6 mt -110.45 129.53 65.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.256 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.31 131.87 38.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 10' ' ' SER . 10.7 m -106.74 87.51 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.137 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 9' ' ' VAL . 86.2 p -36.88 153.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.822 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.73 -33.71 1.97 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.021 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.8 p -49.62 -38.35 31.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.006 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.5 t -89.6 -51.14 12.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.195 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -44.48 -60.02 2.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.692 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -62.47 -34.99 77.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.32 -59.92 4.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.012 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.4 mt -58.12 -49.9 75.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.5 t -53.89 -42.03 51.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.057 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -50.35 -43.78 54.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.768 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.32 -51.82 53.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.03 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.44 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 53.7 mt-30 -41.64 -62.07 0.96 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' GLN . 30.5 t0 -38.21 -41.48 0.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -73.93 -41.71 61.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.99 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 21' ' ' GLN . 49.8 mt -55.97 -59.98 2.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.58 151.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.4 p -111.27 49.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.933 0.397 . . . . 0.0 110.898 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -71.79 -66.08 0.68 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.725 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.443 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 1.3 pm0 -82.01 -38.26 25.32 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.443 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -99.75 154.99 17.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.198 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.541 ' HG2' ' CE2' ' A' ' 133' ' ' PHE . 26.5 tptp -111.98 85.55 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.663 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.7 mt -107.62 126.21 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.103 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.85 95.44 10.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.921 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.44 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 19.1 m-85 -66.47 164.14 17.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.558 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 17.5 t -111.26 150.15 13.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.098 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.45 ' N ' HG13 ' A' ' 34' ' ' VAL . 56.3 mm-40 -41.8 164.38 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.747 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -75.53 -44.62 42.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -79.6 12.38 2.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.795 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.424 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 1.9 m-80 -112.42 1.29 15.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.017 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.558 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 28.3 m-85 -88.12 9.26 23.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.424 ' CE1' ' HA ' ' A' ' 38' ' ' ASN . 2.1 p-80 -53.05 110.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.6 mt -40.64 120.73 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.247 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.7 m -75.73 103.09 5.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.074 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -64.82 -53.18 50.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 45' ' ' PHE . 21.0 tttm -153.64 145.92 23.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.439 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 49.0 t80 -98.69 140.16 33.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.784 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 mt -112.52 -62.76 1.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.748 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 102.48 -138.39 13.9 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.555 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.21 132.25 48.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.9 0.381 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 3' ' ' ALA . 24.0 mt -149.51 147.49 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.444 ' N ' HG21 ' A' ' 49' ' ' ILE . 41.5 p -89.73 131.93 35.45 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' THR . 22.4 tt0 -34.41 -39.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -69.73 -68.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -39.08 -36.76 0.32 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.143 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -40.95 -61.05 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.025 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -46.74 -32.27 3.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.756 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' CD ' HD21 ' A' ' 114' ' ' LEU . 3.0 tt0 -64.12 -47.4 80.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.79 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.445 HG13 ' CD2' ' A' ' 111' ' ' LEU . 4.2 mp -63.46 -42.4 96.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.24 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -58.03 -62.7 1.63 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.985 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.489 ' HG3' ' N ' ' A' ' 60' ' ' ILE . 4.2 ptpp? -43.65 -37.73 2.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.042 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.489 ' N ' ' HG3' ' A' ' 59' ' ' LYS . 84.9 mt -64.07 -49.48 81.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 53.5 mt -57.76 -42.93 85.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -46.36 -47.25 18.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.088 0.471 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -70.61 -60.38 2.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 84.8 mt -44.35 -64.66 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.237 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.56 -19.91 0.22 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -85.49 -51.02 6.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -18.0 43.78 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.554 ' CD2' HG12 ' A' ' 103' ' ' ILE . 47.1 m-85 -103.01 156.62 17.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.768 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -106.97 177.29 4.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -80.21 115.13 19.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.894 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.507 ' CG ' HG13 ' A' ' 99' ' ' ILE . 4.1 t-160 -95.69 143.16 27.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.042 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -105.83 103.4 12.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.903 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 34.9 m -114.86 179.64 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.108 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' A' ' 153' ' ' GLY . 0.6 OUTLIER -132.58 154.16 50.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.846 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 p -111.3 116.82 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.94 0.4 . . . . 0.0 111.155 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -165.78 148.53 7.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.79 124.1 2.87 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.391 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 60.9 mt -120.82 130.38 74.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.92 0.391 . . . . 0.0 111.14 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.94 169.04 14.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.537 -0.839 . . . . 0.0 112.517 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.7 m -138.04 159.44 33.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 120.982 0.42 . . . . 0.0 110.963 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.701 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 13.7 m-85 -143.63 154.22 59.29 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 121.657 0.741 . . . . 0.0 110.873 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.2 Cg_endo -69.65 -25.38 8.0 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.82 -1.742 . . . . 0.0 112.348 0.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 82' ' ' PRO . 1.5 m-80 -158.07 159.19 30.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 121.35 0.595 . . . . 0.0 111.096 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -48.04 -61.77 0.54 Allowed 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.659 2.239 . . . . 0.0 112.388 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -46.15 -28.58 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.014 0.435 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -134.04 92.05 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.918 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 68.9 t -87.16 135.2 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.2 mmm-85 -133.5 -33.64 1.09 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.7 t -139.05 117.94 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 72.2 mt -86.97 131.67 34.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.273 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.701 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 37.9 p-90 -148.2 144.03 27.45 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.9 168.22 11.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -125.77 149.26 17.22 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.526 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 95' ' ' GLU . 87.3 t -106.68 146.98 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.728 0.299 . . . . 0.0 111.207 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 96' ' ' ASN . 13.7 mt-10 -72.07 -176.89 1.88 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.066 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.7 t30 -34.04 105.67 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.841 0.353 . . . . 0.0 110.659 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -121.75 47.24 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.682 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 101' ' ' LYS . 5.3 tp10 -49.06 -68.36 0.19 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.507 HG13 ' CG ' ' A' ' 71' ' ' HIS . 48.1 mm -39.74 -47.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.048 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.3 mt -63.34 -40.28 88.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.472 ' HG2' ' CD1' ' A' ' 122' ' ' PHE . 6.6 mtmp? -63.57 -59.07 5.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.027 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.425 ' CD ' ' HA ' ' A' ' 99' ' ' ILE . 8.3 ptpt -50.3 -38.58 42.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.554 HG12 ' CD2' ' A' ' 68' ' ' TYR . 66.0 mt -67.86 -53.96 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.106 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -48.15 -33.98 9.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.057 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -71.32 -44.22 65.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -62.27 -47.78 82.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 58.0 mt -56.14 -35.35 41.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -81.75 -32.97 31.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.904 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.74 -39.52 74.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.677 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -76.09 -42.8 46.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.012 0.434 . . . . 0.0 110.962 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.506 ' HB3' ' CD2' ' A' ' 116' ' ' PHE . 75.6 mt -62.31 -39.88 94.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.859 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -39.86 -35.15 0.32 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.054 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -70.28 -43.66 69.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.934 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.424 HD21 ' CD ' ' A' ' 56' ' ' GLU . 22.5 mt -64.69 -26.95 68.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.798 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 123.47 47.12 0.26 Allowed Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.41 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.506 ' CD2' ' HB3' ' A' ' 111' ' ' LEU . 66.2 m-85 -120.64 168.14 11.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.89 0.376 . . . . 0.0 110.981 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -107.25 151.98 24.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.06 137.32 42.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -100.15 123.91 44.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -48.53 -54.14 14.34 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -91.29 131.43 36.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.749 0.309 . . . . 0.0 111.007 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.472 ' CD1' ' HG2' ' A' ' 101' ' ' LYS . 9.8 t80 -99.82 145.34 27.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.406 ' N ' ' CD1' ' A' ' 122' ' ' PHE . 45.8 t -142.36 109.58 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -85.49 106.19 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -135.68 168.1 19.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.853 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.548 ' N ' HD12 ' A' ' 126' ' ' ILE . 4.1 mp -136.43 106.26 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.078 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 45.4 m -64.46 111.96 2.91 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 50.3 mt -78.99 -40.62 31.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.994 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 179.37 176.18 46.83 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.651 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -116.97 142.86 46.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 110.943 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 59.5 t -84.76 105.01 13.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.191 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 17.5 tttm -73.9 -57.26 4.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.003 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.541 ' CE2' ' HG2' ' A' ' 30' ' ' LYS . 12.3 p90 -155.62 131.47 9.91 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.6 p -134.29 147.27 30.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.142 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -109.4 -44.87 3.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -83.91 99.59 10.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -62.38 -59.62 4.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 80.5 mt -43.07 -48.84 6.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -43.31 -36.5 3.04 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.648 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.64 -63.45 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 111.016 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -61.2 -61.6 2.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.108 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 141' ' ' ALA . 6.6 mmt -36.28 -35.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.641 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 144' ' ' LEU . 1.2 ttmp? -77.79 -56.28 4.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.944 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 143' ' ' LYS . 90.7 mt -37.14 -60.22 0.66 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.718 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -43.53 -49.6 7.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -58.57 -42.21 87.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 8.7 mp -101.11 39.89 1.35 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -105.52 -32.95 8.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.078 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 150' ' ' GLU . 32.1 m-80 -111.57 -23.48 10.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.811 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 149' ' ' ASN . 8.6 mt-10 -36.78 124.26 0.86 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.033 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -84.09 139.0 32.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.758 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -103.81 -38.78 6.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . 0.402 ' O ' ' ND2' ' A' ' 74' ' ' ASN . . . 138.84 -164.72 25.74 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.627 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.8 m -140.88 167.04 23.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.846 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -169.79 155.39 5.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.057 0.456 . . . . 0.0 110.803 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 54.0 mt -104.86 125.48 59.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.36 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 38.0 t -75.55 100.47 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.083 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -98.4 -67.9 0.83 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.802 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -96.33 171.14 8.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.037 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 161' ' ' GLU . 86.2 mt -126.39 151.79 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.221 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.436 ' N ' HG23 ' A' ' 160' ' ' ILE . 63.7 tt0 -126.88 145.22 50.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 12.8 tp -131.19 115.67 16.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -118.02 158.36 25.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.466 ' HB3' ' CD1' ' A' ' 177' ' ' LEU . 7.2 pttm -115.96 175.22 5.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.049 0.452 . . . . 0.0 110.744 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 30.9 m -144.58 127.71 16.62 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.802 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 28.6 m -134.29 99.61 4.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.043 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 16.2 mt -69.82 131.31 44.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.834 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 29.9 p -134.88 155.68 79.09 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.479 0.656 . . . . 0.0 111.439 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -47.78 -31.99 16.06 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.716 2.278 . . . . 0.0 112.399 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -80.43 -26.55 38.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 151.11 173.29 20.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.431 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.65 126.28 13.2 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.883 2.388 . . . . 0.0 112.268 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 14.9 mm -100.0 133.73 41.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.068 0.461 . . . . 0.0 111.079 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -128.32 132.33 48.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.744 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -158.58 146.25 18.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 24.7 m -75.02 148.27 40.0 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.212 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 164' ' ' LYS . 24.3 mt -115.86 -44.92 2.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.007 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -135.72 141.65 44.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 20.1 mmm-85 -135.85 109.04 7.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -105.25 98.3 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.066 0.46 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -100.02 122.73 43.35 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 77.5 mt -72.27 -61.09 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 9.2 t -158.15 176.34 12.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.939 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -107.96 153.11 23.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.794 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -108.49 103.45 12.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.771 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -127.48 -47.44 1.44 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -38.62 -47.56 1.34 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.819 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . 0.549 ' CG ' ' CD2' ' A' ' 190' ' ' HIS . 2.6 t-160 -110.88 126.45 54.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 190' ' ' HIS . 2.4 t-160 -77.21 -48.02 18.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.062 0.458 . . . . 0.0 110.984 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . 0.549 ' CD2' ' CG ' ' A' ' 188' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.788 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 tpt . . . . . 0 N--CA 1.462 0.139 0 CA-C-O 120.721 0.296 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -71.51 67.41 0.52 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.772 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.34 149.21 49.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.162 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -168.32 132.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 46.3 pt -87.95 137.98 20.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.985 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.401 ' CB ' ' HB2' ' A' ' 40' ' ' HIS . . . -131.72 163.98 26.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.18 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 82.8 mt -103.7 118.79 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.064 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -50.04 120.96 4.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.454 HG21 ' CZ ' ' A' ' 14' ' ' ARG . 4.7 m -101.66 90.64 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 9' ' ' VAL . 11.6 t -33.93 148.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.792 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -43.85 -25.19 0.17 Allowed 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.82 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.5 p -51.46 -47.26 63.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.795 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.5 t -82.3 -43.17 19.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.454 ' CZ ' HG21 ' A' ' 9' ' ' VAL . 22.9 mmt180 -41.5 -64.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.909 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -58.5 -43.9 89.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.737 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.64 -62.77 1.08 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.049 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt -55.11 -48.51 73.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.038 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.7 t -52.64 -42.46 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.939 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.0 ttm-85 -50.64 -49.5 56.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.708 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.17 -50.1 74.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.944 0.402 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.523 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 69.7 mt-30 -47.23 -56.17 7.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -42.9 -34.88 1.04 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.726 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -81.01 -40.49 24.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.8 mt -54.9 -57.17 7.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.935 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.43 165.07 1.85 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.459 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.3 p -132.02 42.08 3.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.854 0.359 . . . . 0.0 110.792 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -79.88 -50.7 10.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -86.39 -45.45 11.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.461 ' HB2' ' CG2' ' A' ' 134' ' ' VAL . . . -98.84 179.01 4.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.571 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 30.8 mmmt -132.59 86.82 2.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.3 mt -111.5 120.05 61.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.009 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.11 89.44 8.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.523 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 16.6 m-85 -56.05 175.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.004 0.43 . . . . 0.0 110.826 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.567 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 46.4 t -116.51 148.91 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.961 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -42.05 159.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.075 0.464 . . . . 0.0 110.727 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.471 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 50.3 mtp180 -70.2 -42.43 72.37 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -84.47 24.7 0.96 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.445 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 2.1 m-80 -128.57 11.93 6.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 27.0 m-85 -92.48 7.75 41.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.986 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.445 ' CE1' ' HA ' ' A' ' 38' ' ' ASN . 3.4 p-80 -54.84 122.37 10.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.47 HG12 ' CG1' ' A' ' 126' ' ' ILE . 44.7 mt -58.48 120.58 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.181 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 50.0 m -69.76 102.77 1.99 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 tt -68.12 -37.47 81.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.509 ' CD ' HD21 ' A' ' 46' ' ' LEU . 8.0 tmtm? -167.39 133.1 2.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.852 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -90.08 136.71 32.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.826 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.509 HD21 ' CD ' ' A' ' 44' ' ' LYS . 20.1 mt -107.79 -63.79 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.92 -139.17 14.3 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.254 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.4 130.76 45.03 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.9 0.381 . . . . 0.0 110.811 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 46.0 mt -149.3 154.89 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.24 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.413 ' HG1' ' NE2' ' A' ' 53' ' ' GLN . 21.0 p -95.76 145.71 25.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.101 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -46.92 -35.43 6.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -72.04 -38.05 69.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.763 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.463 ' OE1' ' N ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -76.16 -30.48 58.13 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.768 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -40.22 -66.65 0.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.074 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -52.61 -29.02 23.74 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.408 ' CB ' ' O ' ' A' ' 53' ' ' GLN . 2.9 tt0 -60.04 -40.22 88.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.815 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.451 HG13 ' CD2' ' A' ' 111' ' ' LEU . 3.8 mp -69.96 -44.93 78.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.042 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.435 ' HG2' ' CB ' ' A' ' 178' ' ' ALA . 0.8 OUTLIER -63.42 -58.45 7.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.116 179.638 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 60' ' ' ILE . 15.6 ptpt -44.75 -45.26 9.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.807 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.479 ' N ' ' HG3' ' A' ' 59' ' ' LYS . 77.7 mt -61.18 -50.41 80.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 44.4 mt -50.02 -48.05 52.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -49.15 -37.61 22.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.721 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -70.2 -53.0 18.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.877 0.37 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.492 HG21 ' CE1' ' A' ' 68' ' ' TYR . 90.1 mt -61.4 -67.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.202 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -43.2 -22.97 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.268 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 64' ' ' ILE . 19.2 tttp -86.08 -53.16 5.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.717 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -19.16 61.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.581 ' CD2' HG12 ' A' ' 103' ' ' ILE . 51.5 m-85 -100.0 159.67 14.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.18 177.43 4.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.981 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.446 ' HB2' ' CG2' ' A' ' 156' ' ' ILE . 8.9 ptpt -109.76 110.04 20.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.466 ' CD2' ' N ' ' A' ' 72' ' ' GLU . 40.7 t60 -97.41 162.0 13.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.466 ' N ' ' CD2' ' A' ' 71' ' ' HIS . 10.0 tt0 -97.18 100.32 11.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.713 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 23.4 m -101.18 158.48 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.232 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 153' ' ' GLY . 16.4 t-20 -113.44 165.79 12.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.143 0.497 . . . . 0.0 110.813 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.7 p -126.71 113.52 33.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.408 ' C ' ' HD3' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -160.91 152.9 19.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.82 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.18 140.87 9.15 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.527 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.447 HG21 ' N ' ' A' ' 79' ' ' GLY . 84.2 mt -136.4 150.8 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.932 0.396 . . . . 0.0 111.005 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.447 ' N ' HG21 ' A' ' 78' ' ' ILE . . . -132.2 169.0 22.34 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.468 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.4 m -133.7 175.53 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.792 0.33 . . . . 0.0 111.115 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.57 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 11.4 m-85 -158.08 149.09 16.36 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 121.578 0.704 . . . . 0.0 110.934 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 53.5 Cg_endo -69.74 -28.38 6.29 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.891 -1.712 . . . . 0.0 112.361 -0.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -157.91 161.29 29.17 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 121.627 0.727 . . . . 0.0 110.999 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -48.11 -56.33 3.21 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.733 2.288 . . . . 0.0 112.169 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -40.31 -40.54 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.971 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -134.92 91.85 2.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.2 t -80.77 127.44 39.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.276 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -118.28 -40.16 2.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.792 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 87.9 t -135.93 126.38 42.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 79.5 mt -91.22 136.03 25.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.111 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.57 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 51.5 p-90 -146.74 139.98 25.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.829 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.39 163.14 13.71 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.16 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.44 145.2 15.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.426 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.462 HG13 ' N ' ' A' ' 95' ' ' GLU . 62.2 t -99.11 154.9 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-O 120.595 0.236 . . . . 0.0 111.304 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.497 ' O ' ' C ' ' A' ' 96' ' ' ASN . 8.3 mm-40 -75.67 -176.58 3.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.497 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -29.55 115.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.687 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 98' ' ' GLU . 2.1 m-20 -125.14 28.97 6.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.785 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 97' ' ' ASP . 4.2 tp10 -35.83 -49.63 0.62 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.3 mm -60.5 -61.51 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.112 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.2 mt -56.46 -19.77 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.218 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -78.18 -58.65 3.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.79 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -59.33 -32.94 70.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.028 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.581 HG12 ' CD2' ' A' ' 68' ' ' TYR . 91.7 mt -67.26 -44.52 87.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.097 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.48 -38.47 69.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.174 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -63.49 -41.48 98.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -66.6 -43.92 83.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.701 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.414 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 63.6 mt -62.39 -37.48 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.233 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -82.66 -30.13 29.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.878 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -57.06 -41.35 78.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.814 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.95 -52.41 11.26 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.954 0.406 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 114' ' ' LEU . 74.8 mt -51.16 -42.03 60.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -38.49 -38.71 0.4 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.988 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -68.86 -39.49 79.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 111' ' ' LEU . 48.6 mt -64.52 -17.98 64.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.74 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 112.64 42.14 0.97 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.566 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -115.82 167.62 10.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.91 0.386 . . . . 0.0 110.811 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -89.53 160.45 16.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.703 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -127.58 124.1 37.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.991 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 23.8 mp0 -97.11 110.59 23.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.974 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.28 -54.1 36.45 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.4 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -93.57 112.53 24.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.647 0.26 . . . . 0.0 110.96 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.416 ' C ' HG22 ' A' ' 123' ' ' VAL . 72.9 t80 -94.61 137.89 33.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.031 0.443 . . . . 0.0 110.831 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.416 HG22 ' C ' ' A' ' 122' ' ' PHE . 44.8 t -137.32 109.62 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.172 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.92 103.14 5.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.201 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 39.3 p-80 -136.44 168.88 18.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.479 HD11 ' N ' ' A' ' 126' ' ' ILE . 3.1 mp -139.85 106.44 2.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.136 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 89.0 m -61.69 106.74 0.71 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.037 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 29.3 mt -67.9 -41.42 82.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.696 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -179.19 -168.16 37.79 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.532 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 -132.89 138.28 46.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.939 0.4 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 56.5 t -83.2 126.09 40.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.243 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -90.48 -60.42 1.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.966 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.571 ' CE2' ' HG3' ' A' ' 30' ' ' LYS . 40.3 p90 -164.16 117.66 1.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.461 ' CG2' ' HB2' ' A' ' 29' ' ' ALA . 3.1 p -114.5 154.67 15.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.213 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -101.29 -46.59 4.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -86.2 116.34 24.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.035 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 138' ' ' LEU . 0.0 OUTLIER -78.56 -60.44 2.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 137' ' ' LYS . 30.3 mt -34.86 -60.27 0.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.954 0.406 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -37.86 -46.53 1.72 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.511 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 35.6 mt -47.31 -61.54 1.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.704 0.287 . . . . 0.0 110.693 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -68.62 -59.93 2.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.187 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 141' ' ' ALA . 23.8 mmt -35.98 -42.46 0.28 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.807 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 146' ' ' GLU . 1.7 ttmp? -70.52 -48.73 54.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.823 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 143' ' ' LYS . 64.1 mt -36.98 -41.67 0.36 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -61.55 -46.99 87.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.988 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.508 ' N ' ' OE1' ' A' ' 146' ' ' GLU . 0.7 OUTLIER -56.55 -43.62 80.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.067 0.461 . . . . 0.0 110.947 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 5.4 mp -100.72 37.31 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -96.69 -40.17 9.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.06 -18.03 11.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -40.29 108.16 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.772 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -69.62 152.06 45.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -114.61 -35.02 5.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.742 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . 0.433 ' O ' ' ND2' ' A' ' 74' ' ' ASN . . . 138.46 -163.55 25.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.365 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 44.8 t -146.13 172.43 13.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.758 0.313 . . . . 0.0 111.009 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -173.79 171.85 3.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.991 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.446 ' CG2' ' HB2' ' A' ' 70' ' ' LYS . 79.4 mt -116.7 126.67 74.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.187 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 99.3 t -76.23 98.79 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.063 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.425 ' C ' HD13 ' A' ' 182' ' ' LEU . 9.5 mt-10 -97.43 -72.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.987 0.423 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -95.66 172.68 7.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.24 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . 0.429 HG21 ' N ' ' A' ' 161' ' ' GLU . 95.9 mt -126.35 147.79 31.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.242 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.429 ' N ' HG21 ' A' ' 160' ' ' ILE . 9.5 tt0 -127.22 124.23 38.45 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 12.0 tp -110.51 133.96 52.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -127.02 164.49 21.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.027 0.441 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -129.83 132.91 46.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.778 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 6.5 t -110.69 130.11 55.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 90.8 m -134.93 101.76 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 21.2 mt -68.26 130.46 42.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 20.6 p -132.94 157.77 77.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.51 0.672 . . . . 0.0 111.136 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -47.65 -32.02 15.51 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.825 2.35 . . . . 0.0 112.354 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -80.32 -31.36 38.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.14 0.495 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 156.61 176.41 28.66 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.357 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 123.93 10.55 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.8 2.334 . . . . 0.0 112.338 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 39.4 mm -97.54 136.29 28.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -132.29 115.47 15.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.678 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -139.57 144.07 37.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.783 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 11.8 m -75.96 145.32 40.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.149 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 26.0 mt -104.12 -46.95 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.015 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.435 ' CB ' ' HG2' ' A' ' 58' ' ' LYS . . . -153.29 148.75 27.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.041 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -135.45 105.44 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -90.87 98.07 11.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.835 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -100.26 123.98 45.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.661 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.425 HD13 ' C ' ' A' ' 158' ' ' GLU . 49.9 mt -70.96 -48.63 52.28 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.806 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 20.2 p -75.86 146.6 39.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.91 0.386 . . . . 0.0 110.778 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -84.95 168.67 14.76 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.97 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -43.78 -57.86 3.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.795 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -60.24 111.91 1.72 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.899 0.38 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -145.65 160.9 41.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.947 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -77.45 159.23 29.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.963 0.411 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 189' ' ' HIS . 78.8 t60 62.9 41.85 8.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 189' ' ' HIS . 37.3 m-70 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.791 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.648 0.261 . . . . 0.0 110.759 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -97.18 101.41 12.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.21 135.22 40.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 4' ' ' PHE . 16.0 p90 -146.86 129.35 15.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 44' ' ' LYS . 13.0 pt -93.99 119.55 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.346 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 41' ' ' ILE . . . -116.9 170.5 8.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.266 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.2 mt -102.88 131.4 51.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.036 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -58.29 131.31 50.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.814 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.446 HG22 ' CZ ' ' A' ' 14' ' ' ARG . 34.2 m -108.82 90.55 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 11' ' ' GLU . 23.5 m -39.42 145.5 0.12 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.834 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 10' ' ' SER . 13.9 pt-20 -33.09 -41.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' GLU . 22.7 t -37.37 -58.31 0.85 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.978 0.418 . . . . 0.0 110.782 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.4 t -70.64 -46.36 69.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.446 ' CZ ' HG22 ' A' ' 9' ' ' VAL . 17.8 mmt180 -43.6 -60.91 1.56 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -62.32 -36.56 82.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.837 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.0 -52.61 63.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.982 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.7 mt -64.16 -55.11 24.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.957 0.408 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.8 t -50.64 -37.78 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.079 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -50.43 -45.75 56.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.969 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.91 -51.47 47.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.064 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -41.94 -60.09 1.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.817 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -39.83 -45.19 1.75 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.423 ' CD2' HD13 ' A' ' 147' ' ' LEU . 22.1 t80 -66.71 -44.51 81.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.769 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.6 mt -55.72 -60.08 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.94 163.39 0.13 Allowed Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.68 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.0 p -117.44 46.53 1.69 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.974 0.416 . . . . 0.0 110.94 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 tttm -68.52 -61.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.412 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 1.9 pm0 -90.66 -38.26 13.21 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.929 0.395 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.412 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -99.93 146.39 26.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.524 ' HG2' ' CE2' ' A' ' 133' ' ' PHE . 11.6 tptm -103.09 91.62 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.92 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.8 mt -111.05 129.08 66.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -96.6 85.29 3.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.948 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -58.11 179.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.784 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.407 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 20.2 t -122.42 151.06 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -43.46 165.83 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.443 ' HA ' ' CD2' ' A' ' 39' ' ' PHE . 10.4 mtm105 -76.84 -41.45 44.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -79.49 11.93 2.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.813 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.518 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 1.8 m-80 -116.27 2.71 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.443 ' CD2' ' HA ' ' A' ' 36' ' ' ARG . 20.0 m-85 -83.55 5.23 24.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.518 ' CE1' ' HA ' ' A' ' 38' ' ' ASN . 3.5 p-80 -50.18 118.99 3.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.765 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.471 ' O ' ' CB ' ' A' ' 6' ' ' ALA . 45.7 mt -56.57 125.15 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.266 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.1 m -76.74 115.24 16.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.972 0.415 . . . . 0.0 111.157 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.468 HD21 ' CD1' ' A' ' 107' ' ' ILE . 5.5 tt -84.3 -59.67 2.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -131.73 127.53 37.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.828 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -100.55 121.54 41.76 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.734 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.472 HD12 ' CD1' ' A' ' 49' ' ' ILE . 7.3 mt -101.24 -63.37 1.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.132 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 100.92 -127.37 9.23 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.44 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -62.81 122.72 16.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.068 0.461 . . . . 0.0 110.764 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.472 ' CD1' HD12 ' A' ' 46' ' ' LEU . 50.3 mt -145.68 147.44 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.2 p -89.09 142.79 27.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.991 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -46.25 -28.16 1.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.691 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -75.15 -70.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.793 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -44.45 -28.32 0.55 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.047 0.451 . . . . 0.0 111.099 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 56' ' ' GLU . . . -48.09 -67.35 0.28 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.025 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -43.27 -24.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.752 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 54' ' ' ALA . 5.0 tp10 -69.21 -63.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.415 ' H ' ' CD1' ' A' ' 57' ' ' ILE . 3.9 mp -36.88 -40.61 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.307 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -61.98 2.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.106 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -45.48 -56.62 4.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.405 ' CG2' HD12 ' A' ' 64' ' ' ILE . 76.6 mt -45.75 -52.88 2.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.05 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 63' ' ' LYS . 20.4 mt -57.15 -58.1 9.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 61' ' ' LEU . 4.1 tp10 -36.55 -30.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.979 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 61' ' ' LEU . 75.0 mttt -85.57 -58.88 2.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.405 HD12 ' CG2' ' A' ' 60' ' ' ILE . 77.9 mt -50.47 -50.33 21.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.73 -10.87 2.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.051 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.424 ' C ' ' HD3' ' A' ' 66' ' ' LYS . 1.3 tmtp? -104.47 -41.57 5.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -65.65 -18.54 65.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.483 ' CG ' HG12 ' A' ' 103' ' ' ILE . 45.3 m-85 -103.67 158.31 16.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -95.55 -175.95 3.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.78 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.475 ' HB3' ' CG2' ' A' ' 156' ' ' ILE . 0.3 OUTLIER -113.12 101.68 9.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.937 0.398 . . . . 0.0 110.869 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.452 ' CB ' HG13 ' A' ' 99' ' ' ILE . 21.4 t60 -98.76 143.99 28.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.77 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -86.83 110.92 20.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.5 m -104.75 173.28 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.203 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -124.32 159.98 29.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.987 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 p -127.06 103.93 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.289 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 6.4 ttt180 -150.85 143.2 24.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.768 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.425 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 103.03 145.62 15.75 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.727 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.447 HG21 ' N ' ' A' ' 79' ' ' GLY . 88.9 mt -138.14 134.8 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.816 0.341 . . . . 0.0 111.187 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.569 ' HA3' ' CZ2' ' A' ' 91' ' ' TRP . . . -111.33 158.17 14.51 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.676 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.9 m -127.4 164.89 27.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.814 0.34 . . . . 0.0 111.189 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.61 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 11.5 m-85 -151.95 149.26 23.11 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.462 0.649 . . . . 0.0 110.968 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 53.8 Cg_endo -69.78 -30.29 5.23 Favored 'Cis proline' 0 C--O 1.229 0.064 0 C-N-CA 122.591 -1.837 . . . . 0.0 112.297 0.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.78 161.51 29.24 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.693 0.759 . . . . 0.0 110.819 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -48.16 -65.11 0.18 Allowed 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.636 2.224 . . . . 0.0 112.462 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -42.35 -30.14 0.31 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -133.81 92.03 2.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.082 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 80.4 t -86.92 131.14 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -123.67 -42.31 2.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.799 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.2 t -133.92 122.69 42.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.928 0.394 . . . . 0.0 111.169 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 73.8 mt -87.14 123.25 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.195 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.61 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 58.3 p-90 -137.47 136.26 37.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.05 161.47 15.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.87 151.41 17.07 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.555 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.472 HG11 ' N ' ' A' ' 95' ' ' GLU . 88.5 t -104.92 149.92 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.891 0.376 . . . . 0.0 111.234 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.514 ' O ' ' C ' ' A' ' 96' ' ' ASN . 12.5 mm-40 -71.06 -176.06 1.31 Allowed 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.514 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.6 OUTLIER -28.86 115.37 0.09 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.814 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 95' ' ' GLU . 63.4 m-20 -129.35 29.76 5.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.766 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -40.77 -50.63 3.14 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.813 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.452 HG13 ' CB ' ' A' ' 71' ' ' HIS . 39.6 mm -54.27 -53.72 27.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.056 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.1 mt -60.77 -26.78 39.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.074 0.464 . . . . 0.0 111.227 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -71.68 -58.6 3.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.835 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.477 ' HE3' ' CD1' ' A' ' 68' ' ' TYR . 10.2 pttt -53.72 -38.34 64.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.848 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.483 HG12 ' CG ' ' A' ' 68' ' ' TYR . 95.2 mt -67.23 -42.91 88.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.086 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.409 ' CB ' ' CD2' ' A' ' 122' ' ' PHE . . . -57.84 -36.86 72.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.093 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.1 tttp -65.82 -46.3 79.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.764 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -60.42 -47.25 86.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.759 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.468 ' CD1' HD21 ' A' ' 43' ' ' LEU . 55.3 mt -51.2 -40.41 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 109' ' ' ASP . 4.4 t0 -77.84 -53.84 7.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.908 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 108' ' ' ASP . 7.0 t70 -34.78 -51.27 0.49 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.94 -47.96 70.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.557 ' HB3' ' CD2' ' A' ' 116' ' ' PHE . 51.3 mt -52.01 -44.86 64.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 111' ' ' LEU . . . -34.68 -38.66 0.08 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.887 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -65.84 -46.75 77.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.938 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 111' ' ' LEU . 33.3 mt -65.2 -26.78 68.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.04 0.447 . . . . 0.0 110.933 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 121.47 66.38 0.25 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.631 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.557 ' CD2' ' HB3' ' A' ' 111' ' ' LEU . 96.7 m-85 -141.07 152.79 45.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.995 0.426 . . . . 0.0 110.753 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -76.52 159.35 30.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.781 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -109.18 109.6 20.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.862 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -100.07 83.6 2.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.945 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.92 -48.34 57.87 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.447 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -70.76 101.99 2.22 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.676 0.274 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.514 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 2.7 t80 -99.23 133.86 42.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 20.6 t -137.03 106.38 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.186 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.34 104.22 6.75 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -140.1 168.97 18.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.525 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.6 mp -139.78 105.78 2.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.025 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 91.3 m -64.3 106.72 1.16 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.032 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 72.0 mt -69.92 -39.59 76.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.052 0.453 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -178.6 -162.09 27.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -141.44 144.32 34.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.919 0.39 . . . . 0.0 110.874 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 61.6 t -90.18 115.02 28.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.206 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -82.69 -55.96 4.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.786 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.524 ' CE2' ' HG2' ' A' ' 30' ' ' LYS . 35.5 p90 -157.03 122.75 4.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.5 p -124.32 150.01 28.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -105.75 -43.44 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.04 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -84.69 107.0 16.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.044 0.449 . . . . 0.0 111.066 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -74.76 -64.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.829 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 37.6 mt -39.47 -48.4 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.959 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -42.99 -46.65 6.23 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.392 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 20.9 mt -50.18 -63.23 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 111.004 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.26 -52.38 65.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.215 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.4 mmt -51.56 -29.0 15.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -81.88 -54.46 5.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.014 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 57.7 mt -39.1 -58.56 1.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -38.47 -54.81 1.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.817 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -55.42 -42.71 74.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.851 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.423 HD13 ' CD2' ' A' ' 23' ' ' TYR . 7.9 mp -101.44 34.43 2.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.951 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -94.8 -35.9 11.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.217 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 150' ' ' GLU . 0.7 OUTLIER -116.43 -13.37 10.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.909 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 149' ' ' ASN . 2.8 tt0 -35.96 113.33 0.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -72.72 143.62 47.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.811 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -111.02 -37.35 5.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 138.06 -161.1 25.53 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.563 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 62.8 m -141.41 171.05 14.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.948 0.404 . . . . 0.0 111.001 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -172.52 162.86 5.33 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 70' ' ' LYS . 85.2 mt -109.58 127.22 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.189 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 66.8 t -78.91 89.96 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.996 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.42 ' HA ' ' CG ' ' A' ' 70' ' ' LYS . 3.4 mt-10 -98.56 -67.19 0.86 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.966 0.412 . . . . 0.0 110.778 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -88.2 169.99 11.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 161' ' ' GLU . 89.4 mt -134.58 142.84 39.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.468 ' N ' HG22 ' A' ' 160' ' ' ILE . 12.7 tm-20 -121.86 131.12 53.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.007 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 17.6 tp -112.29 128.65 56.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.083 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 8.0 tttm -129.3 146.98 51.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.926 0.393 . . . . 0.0 110.983 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -107.14 168.47 9.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.764 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 14.4 m -145.29 126.82 15.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 90.3 m -134.96 100.73 4.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.201 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 32.3 mt -72.02 132.74 44.68 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 66.7 p -136.63 155.98 76.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.632 0.73 . . . . 0.0 111.163 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -48.09 -31.54 16.59 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.795 2.33 . . . . 0.0 112.2 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -27.87 37.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.053 0.454 . . . . 0.0 110.834 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 152.94 171.12 20.0 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.475 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . 0.463 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 55.6 Cg_endo -69.73 130.95 20.27 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.736 2.291 . . . . 0.0 112.518 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 46.6 mm -101.6 127.58 54.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -125.75 126.39 44.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 176' ' ' THR . 5.7 tp10 -156.29 149.01 23.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.854 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.437 ' N ' ' HG3' ' A' ' 175' ' ' GLU . 5.3 m -82.63 150.89 26.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.127 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 36.4 mt -117.61 -39.25 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -150.69 130.75 13.46 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.218 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -125.96 110.34 13.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.031 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -101.28 99.05 9.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -96.86 131.41 43.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 183' ' ' SER . 63.1 mt -110.79 -47.06 3.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.76 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 182' ' ' LEU . 8.2 t -36.68 149.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.94 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -79.88 110.91 15.69 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -37.69 -44.47 0.71 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.03 0.443 . . . . 0.0 110.883 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -55.03 -56.91 14.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -41.74 127.95 3.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.815 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -154.47 158.08 39.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.427 ' CE1' ' OE2' ' A' ' 11' ' ' GLU . 9.2 p-80 -90.23 175.39 7.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.842 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 38.8 m80 . . . . . 0 C--O 1.234 0.25 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.827 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 ptt? . . . . . 0 N--CA 1.454 -0.233 0 CA-C-O 121.031 0.443 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -85.36 87.04 7.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.762 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.69 146.23 26.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.143 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.559 ' CD1' ' O ' ' A' ' 4' ' ' PHE . 6.4 p90 -167.39 135.98 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.796 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.438 ' CD1' ' HB3' ' A' ' 44' ' ' LYS . 42.3 pt -88.94 139.89 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.07 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -137.3 173.01 12.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.048 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.3 mt -115.49 122.05 68.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.168 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -50.35 136.0 20.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.79 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.1 m -115.97 86.62 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -42.91 165.44 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -46.09 -42.04 13.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.74 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.2 p -41.01 -35.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.792 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.9 t -97.38 -58.34 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.118 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -38.54 -69.66 0.12 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.824 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -50.07 -35.52 25.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.849 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.85 -62.96 1.43 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.826 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.441 ' HA ' ' CE1' ' A' ' 152' ' ' PHE . 93.6 mt -57.01 -43.07 81.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.745 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.413 HG22 ' CZ ' ' A' ' 36' ' ' ARG . 93.4 t -62.7 -34.38 65.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.2 tpt85 -58.2 -48.86 79.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.767 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.55 -52.93 63.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.167 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.513 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 51.8 mt-30 -44.53 -53.14 7.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -45.73 -43.29 12.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.714 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -70.74 -28.16 64.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.95 0.405 . . . . 0.0 110.979 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.4 mt -70.19 -60.3 2.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.228 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.6 151.97 0.41 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.386 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.3 p -117.58 52.58 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.96 0.41 . . . . 0.0 110.937 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -92.96 -54.6 3.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.476 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -86.42 -38.5 17.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.476 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -100.15 171.98 7.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.492 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 2.4 tmtm? -125.89 94.74 4.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.6 mt -122.38 134.1 66.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -101.31 82.93 2.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.513 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 19.8 m-85 -56.79 166.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.441 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 25.0 t -105.27 145.91 12.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.28 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.407 ' N ' HG12 ' A' ' 34' ' ' VAL . 77.0 mm-40 -38.59 155.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.957 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.57 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 5.5 ttt85 -65.66 -42.15 91.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.71 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -81.33 15.71 1.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.99 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -120.05 11.39 11.68 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' A' ' 36' ' ' ARG . 22.7 m-85 -89.94 7.78 35.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.66 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -55.21 128.69 35.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.957 0.408 . . . . 0.0 110.778 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.3 mt -63.83 117.31 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.06 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 44.7 m -74.69 104.13 5.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.205 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.408 ' C ' HD23 ' A' ' 43' ' ' LEU . 5.2 tt -75.64 -53.41 8.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.438 ' HB3' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -138.73 124.17 19.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.048 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -93.55 133.81 36.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.459 ' CD2' HD12 ' A' ' 111' ' ' LEU . 8.6 mt -114.77 -67.34 1.0 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.38 -129.68 9.98 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.432 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -64.58 129.0 38.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 110.981 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.405 HG21 ' N ' ' A' ' 50' ' ' THR . 14.7 mt -150.32 153.64 10.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 52' ' ' GLU . 44.6 p -104.6 133.11 50.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' THR . 28.0 tt0 -37.12 -28.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.764 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 50' ' ' THR . 19.8 mt-10 -71.27 -48.67 49.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.982 0.42 . . . . 0.0 111.111 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' THR . 66.5 mm-40 -74.26 -35.46 63.78 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.074 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.88 -55.66 9.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -55.06 -15.68 2.31 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -77.9 -53.05 7.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.464 HG13 ' CD2' ' A' ' 111' ' ' LEU . 1.7 mp -42.34 -54.0 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.186 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 59' ' ' LYS . 68.4 mttt -36.33 -70.55 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 58' ' ' LYS . 44.1 mttm -33.94 -67.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.981 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.412 HG21 ' CD ' ' A' ' 110' ' ' GLU . 85.8 mt -40.42 -53.72 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.222 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.4 mt -54.05 -50.8 65.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.787 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -56.86 -28.51 61.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.737 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -85.67 -19.63 30.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.8 mt -92.26 -62.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.52 -17.02 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.152 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -30.12 19.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.02 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -84.9 -11.84 54.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -110.96 158.12 19.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -103.18 -178.24 3.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.46 ' HB2' ' CG2' ' A' ' 156' ' ' ILE . 0.0 OUTLIER -111.04 109.91 20.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.961 179.764 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.458 ' CD2' ' H ' ' A' ' 72' ' ' GLU . 3.2 t-160 -95.16 172.76 7.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.753 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.458 ' H ' ' CD2' ' A' ' 71' ' ' HIS . 12.4 tt0 -109.41 95.41 5.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.9 m -106.28 160.77 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.013 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.493 ' ND2' ' CB ' ' A' ' 95' ' ' GLU . 6.2 p30 -118.47 160.27 22.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 p -113.5 94.32 3.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.015 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -138.49 138.87 38.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.15 131.94 6.83 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.344 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.445 HG22 ' N ' ' A' ' 79' ' ' GLY . 62.3 mt -126.57 145.46 34.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.952 0.406 . . . . 0.0 111.08 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.445 ' N ' HG22 ' A' ' 78' ' ' ILE . . . -122.19 173.51 15.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.416 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 32.7 m -139.05 171.7 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.882 0.373 . . . . 0.0 111.18 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.637 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 10.1 m-85 -157.79 149.54 17.14 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.608 0.718 . . . . 0.0 111.047 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.4 Cg_endo -69.88 -22.27 9.84 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.733 -1.778 . . . . 0.0 112.469 0.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 86' ' ' TYR . 0.5 OUTLIER -162.93 162.52 18.26 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.738 0.78 . . . . 0.0 110.83 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 85' ' ' ASN . 67.2 Cg_exo -47.77 -63.73 0.29 Allowed 'Trans proline' 0 CA--C 1.527 0.128 0 C-N-CA 122.796 2.331 . . . . 0.0 112.276 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 84' ' ' PRO . 11.6 m-20 -37.8 -38.29 0.28 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 83' ' ' ASN . 4.1 t80 -131.89 100.72 5.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.3 t -93.71 130.15 43.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -126.43 -31.33 2.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.694 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 79.6 t -138.2 121.0 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 84.6 mt -91.56 118.52 37.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.131 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.637 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 28.9 p-90 -129.95 135.44 48.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.986 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -89.19 156.43 18.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.963 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.04 154.42 17.69 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.314 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.471 HG11 ' N ' ' A' ' 95' ' ' GLU . 84.4 t -107.25 147.3 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.619 0.247 . . . . 0.0 111.225 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' A' ' 96' ' ' ASN . 17.3 mm-40 -70.65 -176.25 1.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.751 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.528 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.9 p30 -25.31 108.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.037 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 98' ' ' GLU . 2.6 p30 -128.68 37.05 4.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 101' ' ' LYS . 9.0 tt0 -37.19 -71.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 98' ' ' GLU . 10.1 mm -35.24 -55.29 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.04 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.1 mt -55.53 -39.31 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.188 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 98' ' ' GLU . 6.6 mtmp? -67.52 -64.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -47.0 -28.07 1.51 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.959 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 94.9 mt -80.89 -46.35 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.09 0.471 . . . . 0.0 111.376 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.31 -39.5 64.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.032 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 106' ' ' GLU . 5.3 ptmm? -73.05 -34.2 66.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.825 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 105' ' ' LYS . 29.1 tp10 -68.76 -44.1 74.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.649 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.9 mt -63.84 -30.88 51.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.077 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.4 ' CG ' ' HA ' ' A' ' 118' ' ' LYS . 4.8 t0 -77.16 -39.31 49.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.013 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -57.04 -35.24 69.06 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.412 ' CD ' HG21 ' A' ' 60' ' ' ILE . 6.7 mt-10 -83.05 -50.08 8.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.815 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.464 ' CD2' HG13 ' A' ' 57' ' ' ILE . 74.7 mt -56.65 -41.42 77.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.44 -40.84 1.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.038 0.446 . . . . 0.0 111.131 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -65.5 -38.32 89.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.71 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 111' ' ' LEU . 76.8 mt -65.57 -27.26 68.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 122.36 48.76 0.26 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.396 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -130.67 148.87 52.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.944 0.402 . . . . 0.0 110.772 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -67.08 157.11 34.37 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.828 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.4 ' HA ' ' CG ' ' A' ' 108' ' ' ASP . 1.4 ttmp? -121.38 127.5 51.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -100.0 116.08 31.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.776 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -46.61 -72.91 0.34 Allowed Glycine 0 C--O 1.228 -0.224 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.387 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.51 127.22 44.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.662 0.268 . . . . 0.0 110.996 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -97.27 151.6 19.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 57.4 t -140.46 117.12 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.977 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.6 106.49 9.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.97 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -143.67 168.05 20.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.015 0.436 . . . . 0.0 110.758 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.494 ' N ' HD13 ' A' ' 126' ' ' ILE . 3.3 mp -141.12 106.36 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 83.4 m -62.79 112.56 2.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 86.8 mt -72.66 -38.65 67.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.785 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 177.46 -166.84 37.53 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.555 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -129.37 139.08 51.82 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.747 0.308 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 62.3 t -90.74 111.86 24.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.019 0.438 . . . . 0.0 111.072 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -84.03 -55.67 4.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.01 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 133' ' ' PHE . 2.2 p90 -154.19 138.72 16.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.947 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.413 HG21 ' N ' ' A' ' 135' ' ' LYS . 2.1 p -133.77 153.14 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.132 0.491 . . . . 0.0 111.019 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.413 ' N ' HG21 ' A' ' 134' ' ' VAL . 23.0 tptp -109.01 -49.45 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.819 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -82.86 115.26 21.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -60.48 2.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 38.0 mt -42.34 -53.85 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -38.28 -43.75 1.51 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.526 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 22.3 mt -59.4 -63.28 1.36 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.901 0.381 . . . . 0.0 110.815 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -60.66 -58.37 8.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.012 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.415 ' C ' ' O ' ' A' ' 141' ' ' ALA . 8.9 mmt -37.31 -44.66 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.083 0.468 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 146' ' ' GLU . 11.4 mttp -72.32 -62.46 1.43 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.453 ' O ' ' CB ' ' A' ' 148' ' ' ALA . 42.4 mt -40.58 -42.45 1.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.057 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.41 ' HD3' ' C ' ' A' ' 145' ' ' LYS . 11.4 tmtt? -61.04 -39.49 90.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 143' ' ' LYS . 80.3 mm-40 -76.87 -53.23 8.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.975 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 147' ' ' LEU . 3.1 mp -71.17 -6.26 38.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 144' ' ' LEU . . . -65.23 -33.92 77.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 150' ' ' GLU . 14.0 m120 -115.72 -23.2 8.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.929 0.395 . . . . 0.0 110.771 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 149' ' ' ASN . 6.1 tt0 -38.39 107.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.025 0.441 . . . . 0.0 110.808 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -65.92 145.69 55.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . 0.441 ' CE1' ' HA ' ' A' ' 17' ' ' LEU . 64.1 m-85 -108.0 -32.31 7.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.688 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 139.89 -163.73 26.2 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.537 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 23.7 p -145.53 164.69 30.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.794 0.331 . . . . 0.0 110.884 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -170.45 165.07 8.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.46 ' CG2' ' HB2' ' A' ' 70' ' ' LYS . 96.6 mt -112.07 129.51 67.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 85.6 t -81.69 99.74 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.181 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -95.94 -73.66 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.766 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -97.32 177.43 5.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . 0.462 HG21 ' N ' ' A' ' 161' ' ' GLU . 83.2 mt -129.51 143.11 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.303 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.462 ' N ' HG21 ' A' ' 160' ' ' ILE . 11.3 mp0 -119.13 125.02 48.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.019 0.438 . . . . 0.0 110.89 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 4.7 tp -106.99 120.93 43.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 50.3 mttt -125.82 153.08 44.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.01 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.433 ' HD2' ' CD2' ' A' ' 177' ' ' LEU . 0.0 OUTLIER -114.72 172.2 7.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.539 ' OG ' ' CE1' ' A' ' 174' ' ' TYR . 1.7 m -137.11 121.81 18.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 97.1 m -129.13 99.51 5.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.009 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 9.6 mt -65.95 133.24 50.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 44.2 p -137.64 155.36 75.21 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.391 0.615 . . . . 0.0 111.204 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -47.67 -32.94 17.45 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.827 2.352 . . . . 0.0 112.244 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -79.93 -26.17 40.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 149.11 173.4 19.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.607 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.55 129.43 17.82 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.339 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 49.8 mm -101.24 128.8 53.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . 0.539 ' CE1' ' OG ' ' A' ' 165' ' ' SER . 4.4 m-85 -129.03 120.99 26.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.411 ' HB3' ' NZ ' ' A' ' 164' ' ' LYS . 30.5 tt0 -151.6 159.67 43.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.805 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 8.5 m -85.0 146.45 27.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.193 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . 0.433 ' CD2' ' HD2' ' A' ' 164' ' ' LYS . 21.7 mt -110.77 -34.23 6.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.969 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -149.06 149.26 30.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.15 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.68 108.59 5.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.749 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -99.4 100.6 11.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.822 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -97.11 125.9 41.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.059 0.457 . . . . 0.0 110.736 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 21.7 mt -82.39 -64.39 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.953 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 3.6 t -114.07 161.3 17.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -74.81 141.69 44.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.969 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -106.51 98.9 8.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.676 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -120.77 109.59 15.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.725 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -119.23 126.78 52.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.809 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . 0.535 ' CG ' ' O ' ' A' ' 188' ' ' HIS . 8.5 p-80 -108.45 118.53 37.01 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -113.77 131.01 56.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 2.6 t60 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -179.86 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 ptt? . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.879 0.371 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.37 111.95 20.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.839 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.63 160.93 13.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -171.57 133.87 0.81 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.041 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.2 pt -98.87 115.75 40.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.089 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -115.09 166.37 11.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.3 mt -109.06 123.21 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.196 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -50.95 128.4 21.2 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.059 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 m -104.8 90.36 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.959 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 t -44.33 169.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.712 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -51.63 -40.6 60.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.807 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.8 p -43.09 -35.16 1.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 56.1 t -96.26 -52.1 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.274 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -46.23 -68.16 0.22 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -48.4 -40.96 27.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.19 -57.16 13.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.6 mt -59.69 -47.07 87.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.017 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.3 t -57.45 -41.79 79.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.281 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -49.01 -45.68 42.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.686 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.67 -50.93 65.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.056 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.481 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 42.0 mt-30 -45.69 -57.1 4.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -41.89 -38.41 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -75.06 -40.28 60.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.048 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 53.4 mt -52.25 -57.15 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.15 160.26 0.37 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.536 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.2 p -123.07 44.59 2.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.799 0.333 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -79.13 -61.43 2.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.62 -52.89 7.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.804 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.412 ' HB1' ' CG2' ' A' ' 134' ' ' VAL . . . -99.79 149.9 22.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.218 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -103.82 109.04 20.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.926 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.2 mt -126.41 129.01 71.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.136 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -89.64 88.66 7.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.481 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 19.1 m-85 -56.13 174.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.0 0.429 . . . . 0.0 111.045 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.432 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 58.0 t -119.06 147.12 22.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -40.95 161.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.843 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.3 mtt85 -72.68 -43.59 62.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.953 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -83.34 21.37 1.16 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.044 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -122.94 4.11 9.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.05 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.432 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 24.1 m-85 -84.66 6.0 25.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -49.9 141.05 11.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.4 mt -79.17 119.04 27.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.6 m -70.29 105.88 3.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.953 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 tt -68.82 -44.05 74.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.484 ' CD ' HD23 ' A' ' 46' ' ' LEU . 9.1 tmtt? -162.35 125.65 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -86.47 131.41 34.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.966 0.412 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.484 HD23 ' CD ' ' A' ' 44' ' ' LYS . 21.4 mt -102.57 -60.37 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.757 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.6 -132.51 11.05 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.332 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -63.4 132.09 50.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.85 0.357 . . . . 0.0 110.993 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.454 ' CD1' HD13 ' A' ' 46' ' ' LEU . 15.2 mt -155.39 144.11 12.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.451 ' N ' HG21 ' A' ' 49' ' ' ILE . 47.8 p -87.87 137.84 31.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.229 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -43.67 -22.84 0.06 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 50' ' ' THR . 14.0 mt-10 -77.94 -61.47 1.99 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.408 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 21.7 mt-30 -59.33 -25.84 64.52 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.087 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.98 -51.19 10.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -62.57 -32.39 73.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -57.56 -51.74 68.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.723 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' LYS . 4.0 mp -51.64 -54.64 11.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.171 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.456 ' HE3' ' CB ' ' A' ' 178' ' ' ALA . 42.1 mtpt -36.27 -71.42 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.7 mmtp -37.25 -58.2 0.83 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.765 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 76.7 mt -43.94 -42.7 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.6 mt -74.31 -58.73 3.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.855 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -43.88 -38.63 3.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.943 0.402 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -77.98 -66.12 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 67' ' ' LYS . 70.2 mt -41.04 -69.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.987 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' ILE . . . -36.03 -34.73 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.061 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 64' ' ' ILE . 25.4 tptp -79.78 -45.14 19.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.701 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 64' ' ' ILE . 10.2 ptpt -56.35 -14.33 2.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.005 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.401 ' CD1' HG21 ' A' ' 64' ' ' ILE . 54.0 m-85 -103.08 172.4 6.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.943 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -109.09 144.88 36.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.44 ' CD ' ' HA ' ' A' ' 158' ' ' GLU . 20.0 mmtm -61.37 110.02 1.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -99.41 155.77 17.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.999 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -112.13 103.63 11.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.94 0.4 . . . . 0.0 110.762 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 29.3 m -106.0 167.87 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.497 ' OD1' ' N ' ' A' ' 75' ' ' VAL . 2.6 t-20 -121.88 159.37 26.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.497 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 2.4 p -120.29 114.07 42.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 28.5 ttt180 -164.99 147.22 8.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.858 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.408 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 95.99 137.67 9.39 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.691 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.434 HG23 ' N ' ' A' ' 79' ' ' GLY . 65.7 mt -131.81 136.03 57.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.735 0.303 . . . . 0.0 111.208 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.434 ' N ' HG23 ' A' ' 78' ' ' ILE . . . -112.62 169.77 13.17 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.448 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.9 m -139.47 160.65 28.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.832 0.349 . . . . 0.0 111.174 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.594 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 11.2 m-85 -145.41 152.1 49.06 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.867 0.841 . . . . 0.0 110.773 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.3 Cg_endo -69.73 -22.28 9.7 Favored 'Cis proline' 0 C--N 1.343 0.257 0 C-N-CA 122.763 -1.766 . . . . 0.0 112.379 0.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -166.12 163.08 12.17 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.808 0.813 . . . . 0.0 110.82 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 85' ' ' ASN . 65.0 Cg_exo -47.85 -63.29 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' PRO . 6.2 m120 -37.94 -37.97 0.28 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -133.88 99.38 4.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 54.3 t -89.63 130.65 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.259 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -124.94 -39.48 2.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.1 t -134.22 122.32 40.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.15 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 82.2 mt -89.87 130.02 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.594 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 30.3 p-90 -144.66 146.3 32.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -95.62 164.29 12.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.96 149.53 17.0 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.372 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 95' ' ' GLU . 98.4 t -100.31 146.94 8.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.781 0.324 . . . . 0.0 111.128 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' A' ' 96' ' ' ASN . 48.2 mm-40 -71.68 -176.61 1.66 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.503 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.5 OUTLIER -29.61 99.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -123.06 54.02 1.27 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.804 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -68.81 -42.96 76.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.948 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.1 mm -61.45 -33.01 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.023 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 58.7 mt -78.38 -19.43 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.089 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -75.15 -70.95 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.789 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.421 ' NZ ' ' HB3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -38.15 -39.88 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.0 mt -64.07 -59.09 4.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.156 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -49.79 -35.8 23.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.004 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -71.42 -38.15 71.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.715 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -67.06 -49.48 64.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.758 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 66.8 mt -52.57 -40.66 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 111' ' ' LEU . 12.9 t70 -73.78 -54.89 7.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.06 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 108' ' ' ASP . 1.7 m-20 -37.04 -47.94 0.76 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -67.94 -41.64 82.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.036 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.508 ' HB3' ' CD1' ' A' ' 116' ' ' PHE . 38.3 mt -60.91 -38.74 86.77 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.949 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -38.91 -34.6 0.16 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.009 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -76.18 -39.65 54.32 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.786 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 111' ' ' LEU . 55.9 mt -66.67 -26.31 66.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.959 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 123.91 61.6 0.19 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.42 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.508 ' CD1' ' HB3' ' A' ' 111' ' ' LEU . 89.7 m-85 -140.05 162.13 35.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.028 0.442 . . . . 0.0 110.697 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -79.02 156.54 28.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.017 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.82 118.26 36.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.785 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -98.71 104.92 17.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.837 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.06 -73.87 0.38 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.352 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -93.41 124.73 37.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.042 0.449 . . . . 0.0 110.903 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -99.72 152.55 19.97 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 93.9 t -138.6 132.58 41.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.39 98.18 9.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.184 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -132.72 164.69 26.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.647 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.47 ' N ' HD13 ' A' ' 126' ' ' ILE . 2.7 mp -136.99 106.7 4.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 99.7 m -64.85 112.14 3.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.965 0.412 . . . . 0.0 111.241 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 47.0 mt -74.43 -41.41 60.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.975 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -175.24 -168.97 36.49 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.546 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -132.84 149.36 52.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.81 0.338 . . . . 0.0 110.81 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 80.5 t -97.9 113.17 31.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.31 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.61 -57.02 3.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -156.36 132.1 9.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.478 ' CG2' ' N ' ' A' ' 135' ' ' LYS . 1.7 p -131.99 157.31 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.232 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.478 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 46.0 tttt -107.21 -40.7 5.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.19 108.89 20.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.095 0.474 . . . . 0.0 110.819 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -69.48 -59.23 3.12 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.8 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 33.6 mt -41.37 -59.18 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -37.85 -35.3 0.23 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.449 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 67.0 mt -56.06 -56.4 21.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.63 0.252 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -74.92 -51.76 12.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.093 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 31.8 mmt -39.63 -37.81 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.03 -50.59 54.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 39.9 mt -42.18 -62.52 0.92 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.722 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 21.1 mmtm -38.91 -43.36 0.95 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.982 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -67.49 -43.84 79.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.038 0.447 . . . . 0.0 110.996 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.3 mp -98.78 34.48 2.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.668 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -100.41 -32.48 10.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 150' ' ' GLU . 23.8 p30 -109.11 -30.62 7.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 149' ' ' ASN . 9.3 mt-10 -35.42 122.31 0.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.814 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -83.77 162.8 20.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -125.08 -36.92 2.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 137.12 -164.29 25.29 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.513 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 17.8 m -145.81 164.56 31.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.026 0.441 . . . . 0.0 110.864 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -166.33 173.88 9.62 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.855 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 57.4 mt -115.98 131.52 68.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 95.6 t -86.74 98.36 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.978 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.44 ' HA ' ' CD ' ' A' ' 70' ' ' LYS . 14.6 mp0 -99.99 -70.65 0.73 Allowed 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -86.46 176.1 8.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.165 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . 0.432 HG21 ' N ' ' A' ' 161' ' ' GLU . 85.0 mt -137.32 150.75 26.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.042 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.432 ' N ' HG21 ' A' ' 160' ' ' ILE . 15.5 tt0 -119.66 133.35 55.68 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.07 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 49.1 tp -115.89 101.68 9.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.053 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -105.58 166.27 10.57 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.971 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.402 ' HG2' ' CD2' ' A' ' 177' ' ' LEU . 0.0 OUTLIER -125.64 176.42 6.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.044 0.45 . . . . 0.0 110.683 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 29.4 t -145.32 130.05 18.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.725 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 32.3 m -141.95 105.18 4.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.043 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.88 134.08 41.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 68.7 p -135.19 155.85 78.58 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.355 0.598 . . . . 0.0 111.355 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -48.13 -32.31 18.55 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.834 2.356 . . . . 0.0 112.259 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -80.42 -26.81 38.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.973 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 151.25 175.39 23.04 Favored Glycine 0 C--N 1.328 0.139 0 C-N-CA 120.839 -0.695 . . . . 0.0 112.419 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 136.3 32.54 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.564 2.176 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 47.9 mm -108.4 119.86 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.276 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -117.38 115.28 24.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -143.18 162.21 36.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 3.3 m -92.77 148.35 22.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.062 0.458 . . . . 0.0 110.967 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . 0.402 ' CD2' ' HG2' ' A' ' 164' ' ' LYS . 20.0 mt -110.16 -37.01 5.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.958 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.456 ' CB ' ' HE3' ' A' ' 58' ' ' LYS . . . -156.51 141.21 16.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.025 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' ARG . . . . . 0.434 ' HD3' ' N ' ' A' ' 179' ' ' ARG . 1.1 mpp_? -127.64 105.02 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -92.33 98.27 11.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -100.11 130.26 46.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 27.0 mt -98.29 -60.89 1.46 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.113 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 72.5 m -129.18 139.91 51.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.813 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.51 156.62 35.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.034 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -152.08 114.59 4.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 187' ' ' HIS . 18.2 t-160 -141.63 140.41 33.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 186' ' ' HIS . 32.3 m170 -36.64 -51.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -142.82 160.96 39.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -85.67 89.9 7.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.014 0.435 . . . . 0.0 111.007 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.04 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.8 ptt? . . . . . 0 N--CA 1.456 -0.139 0 CA-C-O 120.657 0.265 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -76.54 75.68 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.749 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.72 149.14 49.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.285 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -163.73 131.99 3.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.966 0.412 . . . . 0.0 110.704 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 44' ' ' LYS . 32.5 pt -87.41 140.68 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -145.18 165.42 28.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.8 mt -109.5 136.69 44.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.224 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.93 132.93 55.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.752 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 m -109.86 91.4 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 t -44.62 168.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.616 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -52.73 -33.84 49.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.039 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.6 p -47.89 -35.04 9.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.0 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 96.7 t -96.78 -58.2 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.112 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -40.71 -61.04 1.01 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -55.68 -42.57 75.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.48 -62.81 1.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.4 mt -52.22 -40.41 61.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.0 t -61.2 -40.21 85.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.023 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.7 ttt85 -53.41 -45.42 69.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.676 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.53 -51.7 68.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 24' ' ' ILE . 53.8 mt-30 -46.25 -60.9 2.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -40.35 -38.92 0.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.805 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -77.1 -32.94 56.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.974 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.481 ' N ' ' O ' ' A' ' 21' ' ' GLN . 69.1 mt -67.63 -62.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.21 164.31 0.17 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.473 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.4 p -114.97 39.77 2.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.072 0.463 . . . . 0.0 110.961 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -58.91 -64.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.719 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -92.83 -41.7 9.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.42 ' HB3' ' CG2' ' A' ' 134' ' ' VAL . . . -98.44 146.9 25.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.989 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 133' ' ' PHE . 1.7 mmmp? -104.62 116.64 32.4 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.746 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 35.9 mt -135.26 121.94 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.089 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -83.32 81.11 8.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.938 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.48 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 13.3 m-85 -56.98 162.68 2.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.981 0.419 . . . . 0.0 110.791 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 35' ' ' GLU . 22.0 t -104.81 160.78 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.184 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.456 ' N ' HG13 ' A' ' 34' ' ' VAL . 58.8 mm-40 -51.62 165.99 0.15 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.0 mtt85 -74.28 -41.73 60.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.2 pm0 -87.3 26.44 1.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.948 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -126.61 6.98 6.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -87.59 6.45 34.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -48.34 117.85 2.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 56.6 mt -54.73 125.01 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.317 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.1 m -78.83 102.7 8.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.013 0.435 . . . . 0.0 111.024 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 tt -64.53 -39.43 93.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.473 ' HB3' ' CD1' ' A' ' 5' ' ' ILE . 19.8 tttm -166.09 140.12 4.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.682 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -96.08 140.0 31.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.5 mt -110.84 -64.18 1.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.014 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.55 -134.9 12.51 Favored Glycine 0 C--O 1.227 -0.315 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.33 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -66.11 133.99 51.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.71 0.291 . . . . 0.0 111.034 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 11.9 mt -152.96 146.52 14.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.054 0.454 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.7 p -95.5 144.63 25.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.285 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -47.47 -28.66 2.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -71.94 -64.87 0.85 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -51.19 -24.1 3.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.61 -39.19 61.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.119 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -65.52 -19.8 66.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.988 0.423 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -77.33 -58.27 3.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.964 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 58' ' ' LYS . 3.9 mp -39.23 -61.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 57' ' ' ILE . 92.0 mttt -34.53 -72.21 0.06 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.03 0.443 . . . . 0.0 111.075 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' LYS . 63.1 mmtt -34.31 -54.18 0.51 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.041 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 67.7 mt -51.24 -52.56 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.219 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.9 mt -60.07 -56.93 15.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -46.93 -40.23 13.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.788 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -71.5 -52.99 15.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.479 ' HA ' ' CD ' ' A' ' 67' ' ' LYS . 65.6 mt -61.89 -65.35 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -43.08 -21.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.16 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' ILE . 3.5 tppp? -91.74 -50.63 5.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.061 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.479 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 7.9 ptmt -58.32 -13.89 6.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.827 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.42 ' CG ' HG12 ' A' ' 103' ' ' ILE . 46.2 m-85 -107.61 163.99 12.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.93 176.29 5.2 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.754 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -114.84 104.56 12.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.096 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.468 ' CD2' ' H ' ' A' ' 72' ' ' GLU . 4.4 t60 -93.64 173.01 7.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.468 ' H ' ' CD2' ' A' ' 71' ' ' HIS . 44.3 tt0 -106.98 109.99 22.02 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 20.7 m -110.12 172.06 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.311 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.507 ' OD1' ' N ' ' A' ' 75' ' ' VAL . 2.0 t-20 -120.73 165.34 15.24 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.916 0.389 . . . . 0.0 110.838 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.507 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 1.8 p -129.61 109.3 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.104 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.409 ' C ' ' HD3' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -156.89 146.14 20.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.889 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.74 145.56 14.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.374 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.8 mt -138.77 130.23 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.911 0.386 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.414 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -113.38 164.52 12.04 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.385 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.67 177.35 7.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 120.678 0.275 . . . . 0.0 111.242 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.576 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 10.6 m-85 -162.22 147.49 10.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.791 0.805 . . . . 0.0 110.763 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 52.5 Cg_endo -69.91 -29.65 5.63 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.797 -1.751 . . . . 0.0 112.207 0.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -156.57 160.18 30.89 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.597 0.713 . . . . 0.0 110.861 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -47.67 -61.93 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.85 2.367 . . . . 0.0 112.365 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -38.94 -36.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -134.72 89.26 2.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 78.0 t -82.14 133.38 29.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -127.79 -35.13 2.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 76.2 t -135.48 116.51 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 71.9 mt -87.15 127.71 40.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.576 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 41.5 p-90 -142.78 145.87 33.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.985 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.41 165.01 12.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.038 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.96 155.25 17.84 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.592 -0.814 . . . . 0.0 112.601 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 95' ' ' GLU . 71.3 t -110.63 148.39 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.703 0.287 . . . . 0.0 111.057 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.518 ' O ' ' C ' ' A' ' 96' ' ' ASN . 34.3 mm-40 -71.01 -176.39 1.37 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.004 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.518 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.7 p30 -27.73 113.42 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -129.99 38.15 3.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -49.54 -47.76 48.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.7 mm -58.15 -51.39 71.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.265 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.7 mt -64.45 -12.79 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.151 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.444 ' HG3' ' CD1' ' A' ' 122' ' ' PHE . 14.9 ttmt -85.61 -62.45 1.52 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -50.78 -26.26 5.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.964 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.42 HG12 ' CG ' ' A' ' 68' ' ' TYR . 91.6 mt -78.07 -51.31 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.993 0.425 . . . . 0.0 111.24 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.53 -38.13 43.02 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.268 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -65.84 -42.36 90.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.412 ' O ' ' OE1' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -61.7 -53.54 54.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.77 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 59.2 mt -48.8 -35.1 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.037 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 110' ' ' GLU . 4.2 t0 -79.99 -56.62 4.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.901 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 108' ' ' ASP . 5.7 t70 -34.14 -35.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.739 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 108' ' ' ASP . 59.6 mm-40 -83.19 -51.63 7.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 116' ' ' PHE . 59.2 mt -52.58 -44.04 65.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 111' ' ' LEU . . . -36.37 -39.73 0.2 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 113' ' ' LYS . 8.6 tmtt? -66.73 -43.42 84.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 111' ' ' LEU . 23.3 mt -67.27 -28.34 67.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.732 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 120.99 65.32 0.25 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.379 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.483 ' CD1' ' HB3' ' A' ' 111' ' ' LEU . 81.3 m-85 -137.25 154.74 50.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.839 0.352 . . . . 0.0 111.042 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -82.37 136.15 35.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -109.69 129.65 55.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -99.54 123.12 43.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.933 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.14 -67.52 2.08 Favored Glycine 0 C--N 1.329 0.177 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.393 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -87.2 133.36 33.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.444 ' CD1' ' HG3' ' A' ' 101' ' ' LYS . 2.0 t80 -99.51 133.12 44.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 5.2 t -127.79 120.24 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.243 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.79 98.69 11.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.127 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -135.23 164.64 27.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.47 HD11 ' N ' ' A' ' 126' ' ' ILE . 3.7 mp -135.89 107.41 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 90.6 m -61.26 116.66 4.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.29 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 48.8 mt -81.08 -36.34 30.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.026 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 173.09 -177.88 45.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.513 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -118.17 144.28 45.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.948 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 94.8 t -91.35 127.33 43.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.226 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -90.69 -58.33 2.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.574 ' CZ ' ' HG3' ' A' ' 30' ' ' LYS . 36.8 p90 -164.38 133.74 3.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.792 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.42 ' CG2' ' HB3' ' A' ' 29' ' ' ALA . 2.0 p -129.02 154.16 39.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.415 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 18.9 tptp -107.75 -42.84 4.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.991 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -77.44 105.34 8.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -69.83 -62.02 1.55 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 32.1 mt -44.72 -48.2 10.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.97 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -46.43 -42.97 14.18 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.332 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 93.9 mt -48.37 -60.77 2.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.784 0.326 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -68.27 -53.24 25.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.049 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 8.1 mmt -41.99 -40.7 2.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.788 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.422 ' HA ' ' CD ' ' A' ' 146' ' ' GLU . 13.8 ttmt -71.02 -38.92 72.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 62.7 mt -56.44 -40.18 74.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -64.64 -62.05 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.481 ' HG3' ' CD1' ' A' ' 147' ' ' LEU . 5.8 pt-20 -52.34 -31.41 33.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.002 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.541 HD11 ' N ' ' A' ' 147' ' ' LEU . 10.3 mp -108.33 37.83 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -105.6 -38.84 6.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.112 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -105.38 -21.45 13.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.719 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -39.97 106.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.786 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -70.42 154.55 41.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.753 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -117.25 -29.44 5.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 131.68 -163.62 23.71 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.327 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 18.3 p -144.22 168.2 20.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.052 0.453 . . . . 0.0 110.883 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -169.08 159.65 9.32 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.012 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 60.2 mt -107.28 131.94 56.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 63.0 t -73.11 100.04 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.049 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -99.63 -71.48 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -99.18 155.17 17.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.03 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 97.3 mt -116.09 146.44 20.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.067 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -128.28 139.9 52.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.146 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 12.1 tp -121.91 123.04 40.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.926 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -123.26 162.15 23.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.464 ' HB3' ' CD1' ' A' ' 177' ' ' LEU . 7.7 pttp -125.13 149.01 48.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 40.8 t -117.89 132.53 56.41 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 96.8 m -142.71 105.97 4.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 15.5 mt -75.87 132.75 40.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.033 0.444 . . . . 0.0 110.777 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 76.7 p -135.1 155.4 79.06 Favored Pre-proline 0 N--CA 1.453 -0.286 0 CA-C-O 121.419 0.628 . . . . 0.0 111.318 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.98 -32.1 17.3 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.752 2.301 . . . . 0.0 112.205 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -80.22 -26.52 39.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 151.16 173.67 21.32 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.47 -0.871 . . . . 0.0 112.447 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.59 130.66 19.95 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.559 2.173 . . . . 0.0 112.497 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 39.0 mm -102.83 129.51 54.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.986 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -131.54 107.32 8.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.021 0.439 . . . . 0.0 110.971 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -134.68 150.23 50.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.667 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 177' ' ' LEU . 29.5 m -77.51 151.32 34.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.16 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 164' ' ' LYS . 26.1 mt -115.6 -41.5 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -160.16 145.45 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.998 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 179' ' ' ARG . 0.0 OUTLIER -141.91 134.71 28.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -116.07 99.17 7.06 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -99.67 117.91 35.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 28.2 mt -52.18 -57.43 9.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.911 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 1.1 t -174.87 178.22 1.87 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.761 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -113.37 150.96 31.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.696 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 186' ' ' HIS . 34.8 m80 -93.32 111.55 23.23 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.009 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 185' ' ' HIS . 24.3 t-80 -35.84 -53.61 0.74 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 -79.58 80.89 5.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.704 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -101.87 149.71 23.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.935 0.398 . . . . 0.0 110.691 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.44 ' CD2' ' H ' ' A' ' 190' ' ' HIS . 11.4 t-160 -106.39 159.29 16.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.926 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . 0.44 ' H ' ' CD2' ' A' ' 189' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.49 ' CG ' ' O ' ' A' ' 1' ' ' MET . 8.0 ttt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.05 0.452 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.3 mtt85 -63.99 91.3 0.07 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.44 ' CB ' HD12 ' A' ' 49' ' ' ILE . . . -88.63 153.46 21.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.25 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -168.03 146.07 4.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.8 pt -97.65 154.6 3.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.45 160.48 43.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.455 ' CG2' HG23 ' A' ' 157' ' ' VAL . 75.8 mt -104.69 106.08 19.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.046 0.45 . . . . 0.0 111.052 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -35.45 139.75 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 m -122.32 88.79 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -43.68 161.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.431 ' HA ' ' NH1' ' A' ' 14' ' ' ARG . 11.7 pt-20 -44.27 -35.34 2.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.5 t -43.09 -37.0 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 16' ' ' ALA . 86.0 t -98.03 -60.28 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.346 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.431 ' NH1' ' HA ' ' A' ' 11' ' ' GLU . 9.3 mtm105 -41.08 -56.03 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -53.96 -33.52 57.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 13' ' ' VAL . . . -68.36 -60.19 2.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.1 mt -51.15 -43.26 61.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.25 -41.89 88.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.965 0.412 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -50.46 -43.03 55.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.43 -48.46 72.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.944 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.66 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 53.7 mt-30 -48.37 -58.51 4.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.99 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -42.45 -42.07 3.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -70.41 -49.37 49.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.6 mt -41.46 -52.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.51 129.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.353 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.6 p -104.87 51.72 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.008 0.432 . . . . 0.0 110.927 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -102.17 -36.41 8.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.472 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 30.3 mm-40 -95.92 -57.67 2.3 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.776 0.322 . . . . 0.0 110.817 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.32 133.69 41.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -81.43 111.76 18.07 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.004 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.9 mt -133.91 125.46 48.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.237 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -91.51 85.07 5.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.026 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.66 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 19.8 m-85 -56.76 173.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.8 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.6 t -118.27 153.1 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.077 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -46.05 170.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -80.04 -41.06 26.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.044 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -83.15 18.85 1.58 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.655 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -124.52 15.11 8.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.793 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -96.64 9.23 42.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -57.41 128.91 39.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.951 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.6 mt -60.18 115.33 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.245 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.5 m -69.2 89.34 0.45 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.234 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.454 ' O ' ' CE1' ' A' ' 122' ' ' PHE . 5.5 tt -49.52 -54.18 19.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.793 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.438 ' HB2' ' NZ ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -152.92 152.43 31.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.411 ' O ' ' NZ ' ' A' ' 44' ' ' LYS . 67.6 t80 -99.96 148.58 24.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.433 ' CD2' ' HD2' ' A' ' 44' ' ' LYS . 14.7 mt -116.45 -60.17 1.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.74 -138.02 13.65 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -73.87 130.45 39.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 111.02 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.44 HD12 ' CB ' ' A' ' 3' ' ' ALA . 25.2 mt -139.79 148.52 22.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.956 0.408 . . . . 0.0 111.253 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.0 p -96.97 142.8 28.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.97 0.414 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -41.72 -38.76 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.764 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -62.28 -46.43 88.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -72.24 -31.43 65.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.684 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -39.82 -33.28 0.19 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -78.84 -37.17 41.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.665 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 53' ' ' GLN . 4.7 mm-40 -59.95 -47.71 84.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.019 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -52.71 -51.6 34.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -59.09 -48.88 79.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -53.82 -55.17 28.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.764 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.9 mt -48.05 -53.12 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.995 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.0 mt -53.35 -50.14 65.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -44.04 -45.03 7.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.054 0.454 . . . . 0.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -68.83 -52.31 31.31 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.952 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 67' ' ' LYS . 81.4 mt -59.14 -65.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.155 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -42.98 -28.27 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.192 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -87.03 -35.23 18.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.562 ' HD2' ' CE2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -72.01 -16.13 62.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.808 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.562 ' CE2' ' HD2' ' A' ' 67' ' ' LYS . 49.1 m-85 -109.01 171.16 7.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.064 0.459 . . . . 0.0 110.833 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -118.91 173.95 6.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.445 ' HB2' ' CG2' ' A' ' 156' ' ' ILE . 10.2 ptpp? -98.24 111.15 23.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.856 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -99.54 169.28 9.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.009 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -105.13 99.28 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.173 0.511 . . . . 0.0 110.749 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.6 m -100.42 161.84 3.33 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.906 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -115.33 156.89 24.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.825 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.6 p -123.79 112.59 33.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.184 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.456 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 14.1 ttt180 -162.33 148.52 13.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.845 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.456 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 95.65 140.73 11.18 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.393 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 20.1 mt -140.04 126.0 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 111.061 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.09 172.82 18.44 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.577 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.5 m -138.48 163.62 28.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.891 0.377 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.7 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 11.6 m-85 -145.7 154.65 52.24 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.681 0.753 . . . . 0.0 110.703 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 53.9 Cg_endo -69.68 -17.26 11.91 Favored 'Cis proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.748 -1.772 . . . . 0.0 112.407 0.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.409 ' N ' ' ND2' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -171.27 161.09 5.27 Favored Pre-proline 0 C--O 1.233 0.201 0 CA-C-O 121.503 0.668 . . . . 0.0 110.868 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -48.28 -58.24 1.87 Allowed 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.751 2.301 . . . . 0.0 112.176 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -39.65 -40.04 0.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -134.33 94.72 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.1 t -85.24 127.2 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.222 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -124.27 -33.73 3.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.725 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 74.3 t -135.89 122.67 33.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.214 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 66.8 mt -93.46 135.61 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.7 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 37.1 p-90 -152.62 144.75 23.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.017 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.58 169.66 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.76 151.86 17.41 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 76.1 t -104.88 144.16 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.772 0.32 . . . . 0.0 111.241 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 96' ' ' ASN . 40.2 mm-40 -72.7 -176.56 2.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.042 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.495 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -30.38 100.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -119.63 42.36 2.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -45.34 -57.11 4.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.9 mm -48.51 -59.82 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.14 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.7 mt -44.03 -51.51 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -50.7 -54.5 22.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.949 0.404 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -50.6 -53.69 28.67 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.546 HG12 ' CD2' ' A' ' 68' ' ' TYR . 64.4 mt -59.65 -39.13 78.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.79 -33.74 72.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.209 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -80.58 -37.5 31.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -67.3 -43.0 82.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.56 -48.85 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.188 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 109' ' ' ASP . 12.3 t0 -70.41 -55.03 10.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.745 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 108' ' ' ASP . 0.1 OUTLIER -36.55 -48.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.973 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -67.43 -49.5 63.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 33.4 mt -58.11 -26.67 62.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.027 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.58 -22.32 3.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.057 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -83.74 -41.19 17.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 66.5 mt -67.92 -24.14 65.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.858 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 121.18 63.3 0.24 Allowed Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.312 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -138.9 146.61 41.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.929 0.395 . . . . 0.0 110.853 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -67.71 148.78 50.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -113.79 123.3 49.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.999 0.428 . . . . 0.0 110.733 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -99.55 112.44 24.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -54.08 -71.4 0.71 Allowed Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.593 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -90.72 116.22 28.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.833 0.349 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.454 ' CE1' ' O ' ' A' ' 43' ' ' LEU . 40.4 t80 -98.04 147.4 24.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.014 0.435 . . . . 0.0 110.813 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 58.0 t -135.37 128.47 48.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.129 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -85.47 102.96 13.92 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.411 ' C ' HD12 ' A' ' 126' ' ' ILE . 41.7 p-80 -139.76 163.68 31.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.031 0.443 . . . . 0.0 110.801 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.525 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.6 mp -137.25 109.52 7.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.349 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 91.2 m -66.65 116.42 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.247 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.6 mt -80.7 -34.41 34.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 174.99 -176.5 47.14 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.413 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 48.8 mtt85 -122.02 146.59 47.02 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 110.769 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 68.7 t -97.47 125.03 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.997 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -93.71 -57.89 2.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -157.34 137.31 12.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.737 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' A' ' 135' ' ' LYS . 1.5 p -133.47 154.36 38.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.067 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.443 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 2.5 mptm? -104.75 -36.83 7.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.056 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -90.12 117.91 29.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.029 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -83.03 -68.23 0.72 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.899 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 31.4 mt -38.29 -56.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -39.36 -42.4 1.8 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.448 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 92.0 mt -46.76 -58.68 3.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.642 0.258 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -71.87 -59.18 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.253 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 13.6 mmt -40.93 -38.07 0.9 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.143 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -72.45 -58.37 3.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 50.7 mt -47.52 -38.1 13.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -51.93 -38.61 57.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.748 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -73.88 -41.65 61.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.646 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 147' ' ' LEU . 1.9 mp -85.89 8.29 20.81 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.987 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -87.06 -23.4 24.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -121.0 -19.61 7.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -53.11 104.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -65.21 157.17 29.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.668 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -117.49 -32.0 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 134.24 -155.59 21.95 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.6 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 32.7 p -147.02 173.28 12.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.774 0.321 . . . . 0.0 111.003 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -173.8 170.37 3.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.137 0.494 . . . . 0.0 110.616 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.445 ' CG2' ' HB2' ' A' ' 70' ' ' LYS . 58.0 mt -121.25 136.72 57.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.047 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.455 HG23 ' CG2' ' A' ' 7' ' ' ILE . 53.4 t -83.11 101.81 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 -97.73 -70.26 0.73 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.183 0.516 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 180' ' ' PHE . . . -99.0 179.35 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.058 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 66.2 mt -134.4 155.25 38.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.191 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -131.13 138.37 49.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 11.1 tp -120.23 124.9 46.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.787 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -125.01 173.21 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.726 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.57 171.33 9.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.033 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 39.2 t -144.78 121.69 11.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 88.8 m -137.08 105.04 5.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 12.2 mt -74.78 139.47 43.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 10.9 p -143.25 155.88 61.31 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.631 0.729 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -47.76 -35.52 23.94 Favored 'Trans proline' 0 CA--C 1.527 0.126 0 C-N-CA 122.685 2.256 . . . . 0.0 112.295 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -79.87 -21.94 43.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 145.44 172.82 16.14 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.38 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . 0.462 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 53.1 Cg_endo -69.7 144.13 53.35 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.855 2.37 . . . . 0.0 112.252 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 27.4 mm -116.69 123.03 71.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -118.84 126.25 51.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.828 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -147.64 147.69 30.28 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.716 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 9.1 m -80.53 142.64 33.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.022 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 19.1 mt -109.62 -36.3 5.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.927 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -155.59 144.85 20.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.034 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 -137.26 111.84 8.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.761 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.423 ' O ' ' CB ' ' A' ' 159' ' ' ALA . 55.3 m-85 -100.7 97.86 8.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.793 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -100.41 116.19 31.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.12 -53.55 56.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.005 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 6.4 t -56.34 168.63 0.51 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -111.51 -16.53 13.27 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.734 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -134.73 177.15 8.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.917 0.389 . . . . 0.0 110.708 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -173.11 141.2 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.821 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.434 ' CG ' ' O ' ' A' ' 187' ' ' HIS . 17.8 t-80 60.69 43.27 12.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.946 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.55 174.81 2.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.782 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -82.52 173.04 12.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.773 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.807 179.892 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 tpt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.792 0.33 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -79.21 64.46 4.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.58 143.95 57.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 163' ' ' LYS . 20.7 p90 -156.39 127.45 6.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.99 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 44' ' ' LYS . 45.4 pt -85.16 142.74 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.08 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -142.96 162.04 36.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.225 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.8 mt -107.51 124.75 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.028 0.442 . . . . 0.0 111.122 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.05 138.92 24.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.891 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 10' ' ' SER . 2.8 m -116.05 90.03 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.091 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 9' ' ' VAL . 37.1 t -37.66 156.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.961 0.41 . . . . 0.0 110.734 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -47.76 -26.13 1.49 Allowed 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.788 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.7 p -56.44 -35.64 68.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 37.2 t -94.18 -46.85 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.168 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -52.19 -53.79 38.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.759 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -64.96 -23.49 67.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.48 -58.2 3.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.13 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.8 mt -58.38 -46.27 86.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.805 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.2 t -57.88 -40.8 77.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.082 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -51.08 -45.73 61.55 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.793 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.73 -44.06 97.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.279 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.69 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 51.9 mt-30 -53.05 -55.12 26.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.806 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -44.43 -38.91 4.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -77.21 -36.08 55.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.687 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.93 -60.18 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.85 166.28 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.383 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.8 m -119.84 50.83 1.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.981 0.42 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -54.78 -69.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.033 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -94.51 -34.69 12.59 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.799 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.51 162.62 18.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.508 ' HG2' ' CE2' ' A' ' 133' ' ' PHE . 57.3 tptt -124.42 93.14 3.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.8 mt -110.67 154.05 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.237 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -113.98 86.67 2.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.976 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.69 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 20.3 m-85 -58.34 167.41 1.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.097 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.0 t -116.03 154.91 17.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.847 0.356 . . . . 0.0 111.17 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -47.97 170.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -81.24 -43.22 19.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.813 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.24 13.81 1.74 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.053 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -118.32 8.62 12.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -91.95 9.81 31.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.135 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -58.33 135.19 57.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.716 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 72.6 mt -68.07 107.09 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.984 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 m -58.52 88.08 0.01 OUTLIER 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.245 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 tt -50.09 -41.24 47.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.954 0.407 . . . . 0.0 111.131 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 45' ' ' PHE . 26.6 tttm -167.62 145.34 4.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.816 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.434 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 36.6 t80 -98.9 133.67 42.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.97 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 64.4 mt -100.1 -63.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.029 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.08 -127.55 8.98 Favored Glycine 0 N--CA 1.454 -0.135 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.53 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -82.42 133.8 35.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.872 0.368 . . . . 0.0 111.074 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.438 HG23 ' N ' ' A' ' 50' ' ' THR . 51.0 mt -145.1 164.95 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 52' ' ' GLU . 55.1 p -104.75 132.24 51.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.867 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' THR . 16.1 tt0 -37.39 -30.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 50' ' ' THR . 5.6 mm-40 -75.01 -59.78 2.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 56' ' ' GLU . 34.5 mt-30 -55.05 -31.8 61.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -41.12 -51.2 3.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.004 0.431 . . . . 0.0 111.423 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -55.52 -33.29 63.64 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 53' ' ' GLN . 4.8 tp10 -62.37 -56.29 19.77 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.012 0.434 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.7 mp -40.13 -43.18 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.491 ' HE3' ' N ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -62.46 -65.43 0.69 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.842 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -37.83 -45.23 0.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.019 0.438 . . . . 0.0 110.936 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 89.9 mt -60.05 -51.5 72.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.119 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.6 -37.61 79.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -56.83 -35.47 68.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.07 -58.79 2.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.476 ' HA ' ' CD ' ' A' ' 67' ' ' LYS . 48.8 mt -47.14 -61.08 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.084 0.469 . . . . 0.0 111.062 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.55 -17.88 0.36 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -102.26 -23.76 13.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.021 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.476 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 7.8 ptmt -81.16 -6.66 59.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.523 ' CD2' HG12 ' A' ' 103' ' ' ILE . 42.5 m-85 -114.45 163.24 15.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.016 0.436 . . . . 0.0 110.951 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 tppt? -98.47 150.66 21.43 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -77.81 98.64 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.735 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -97.34 155.52 16.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.004 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -105.74 115.41 30.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.6 m -111.15 165.1 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.625 HD21 ' N ' ' A' ' 75' ' ' VAL . 0.4 OUTLIER -116.22 155.52 28.17 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.895 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.625 ' N ' HD21 ' A' ' 74' ' ' ASN . 3.8 p -119.26 105.29 17.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.231 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.495 ' NH2' ' CG ' ' A' ' 151' ' ' ASP . 16.1 ttm105 -150.94 146.78 26.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.043 0.449 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.74 147.55 22.69 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.4 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 79' ' ' GLY . 26.9 mt -138.58 134.53 43.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 120.865 0.365 . . . . 0.0 111.005 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.485 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -113.14 152.03 18.11 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.392 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.7 m -122.06 176.11 4.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.897 0.38 . . . . 0.0 111.18 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.744 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 11.5 m-85 -160.73 151.76 15.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.493 0.663 . . . . 0.0 110.769 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.4 Cg_endo -69.43 -21.22 10.03 Favored 'Cis proline' 0 C--O 1.233 0.227 0 C-N-CA 122.634 -1.819 . . . . 0.0 112.483 -0.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.45 ' CG ' ' C ' ' A' ' 82' ' ' PRO . 0.4 OUTLIER -164.39 160.63 16.09 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.594 0.712 . . . . 0.0 110.97 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -47.91 -60.03 1.03 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.658 2.239 . . . . 0.0 112.429 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -41.48 -37.38 1.06 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -133.33 97.0 3.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.141 0.496 . . . . 0.0 110.844 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.5 t -89.05 129.44 40.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.344 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -124.6 -34.82 2.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 85.1 t -134.82 116.66 21.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.071 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 69.8 mt -88.45 129.5 39.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.007 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.744 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 26.6 p-90 -145.59 144.04 30.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.945 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.14 161.98 15.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.07 143.77 15.03 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.445 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.416 ' CG1' ' OD2' ' A' ' 97' ' ' ASP . 88.6 t -102.35 151.05 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.956 0.408 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.487 ' O ' ' C ' ' A' ' 96' ' ' ASN . 4.3 mm-40 -71.27 -176.55 1.5 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.763 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.487 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.1 t30 -31.14 113.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.84 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.416 ' OD2' ' CG1' ' A' ' 94' ' ' VAL . 63.4 m-20 -121.22 30.9 6.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.705 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 97' ' ' ASP . 5.0 tp10 -35.8 -60.62 0.52 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 100' ' ' ILE . 10.7 mm -48.52 -71.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.071 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 99' ' ' ILE . 71.8 mt -33.95 -61.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.17 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -39.84 -48.75 2.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.066 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -54.35 -52.78 60.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.768 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.523 HG12 ' CD2' ' A' ' 68' ' ' TYR . 83.9 mt -58.91 -45.16 91.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.078 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.15 -31.57 63.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.14 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -85.11 -39.25 18.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.818 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.98 -43.17 99.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.82 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 63.3 mt -59.03 -45.64 92.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.017 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -71.45 -43.05 67.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -47.02 -32.84 4.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -86.84 -44.22 11.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.498 ' HB3' ' CG ' ' A' ' 116' ' ' PHE . 48.9 mt -60.89 -28.11 68.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.38 -33.41 5.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.239 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 113' ' ' LYS . 0.7 OUTLIER -79.24 -36.97 39.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.763 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 23.1 mt -70.43 -16.8 62.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.888 0.375 . . . . 0.0 111.018 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 115.59 54.98 0.36 Allowed Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.498 ' CG ' ' HB3' ' A' ' 111' ' ' LEU . 40.1 m-85 -136.5 171.48 14.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.027 0.442 . . . . 0.0 110.876 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -127.13 141.11 51.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -106.96 150.03 26.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.886 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 120' ' ' GLY . 6.5 tt0 -99.61 122.94 43.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.852 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 119' ' ' GLU . . . -38.36 -70.48 0.29 Allowed Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.353 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -99.29 128.23 45.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.095 0.474 . . . . 0.0 111.092 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -100.12 141.75 32.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 11.2 t -125.82 124.46 66.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.031 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.12 96.05 10.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -137.82 167.88 20.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.408 ' CD1' ' N ' ' A' ' 126' ' ' ILE . 1.3 mp -137.23 104.81 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.262 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 90.3 m -59.66 122.99 15.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.044 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 77.5 mt -88.48 -28.24 20.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 168.36 -175.94 42.9 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.386 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -125.6 145.22 50.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.987 0.422 . . . . 0.0 110.933 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.9 t -92.73 122.01 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.072 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -91.69 -54.79 3.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.801 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.508 ' CE2' ' HG2' ' A' ' 30' ' ' LYS . 26.6 p90 -157.01 129.65 7.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.424 ' CG2' ' N ' ' A' ' 135' ' ' LYS . 1.9 p -131.69 154.02 39.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.188 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.424 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 29.9 tptt -114.82 -40.31 3.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -79.45 88.02 5.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -61.74 -60.73 3.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.78 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 32.3 mt -44.98 -49.21 11.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.858 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -46.76 -45.13 18.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.657 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 84.4 mt -47.35 -63.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.63 -60.01 3.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.035 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.7 mmt -39.86 -35.8 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.781 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -71.56 -53.46 13.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.809 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 77.3 mt -40.67 -62.22 0.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.878 0.37 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -39.11 -41.29 0.8 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.973 0.416 . . . . 0.0 111.058 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -67.97 -45.72 73.38 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 4.8 mp -101.05 35.49 2.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -97.57 -35.85 10.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.224 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 150' ' ' GLU . 62.4 m-80 -110.69 -23.96 10.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.847 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 149' ' ' ASN . 6.7 tp10 -35.55 115.4 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . 0.495 ' CG ' ' NH2' ' A' ' 76' ' ' ARG . 27.8 t70 -76.19 155.43 34.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -117.23 -40.02 3.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.067 0.46 . . . . 0.0 110.973 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 139.78 -172.49 23.33 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.579 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 p -138.03 164.61 28.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.637 0.256 . . . . 0.0 110.851 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -169.77 178.84 3.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.674 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 87.3 mt -120.58 137.52 54.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.049 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 72.0 t -86.01 91.16 3.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -97.78 -70.71 0.71 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -85.93 143.54 28.14 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 97.3 mt -115.16 150.38 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.938 0.399 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.429 ' CG ' ' HG3' ' A' ' 179' ' ' ARG . 3.2 mt-10 -132.9 138.59 47.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.987 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 14.7 tp -119.75 115.15 23.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.022 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.55 ' HB3' ' CZ ' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -113.71 140.98 47.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.437 ' HB3' ' CD1' ' A' ' 177' ' ' LEU . 10.1 pttt -113.04 148.94 34.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.015 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 10.4 p -119.47 135.7 54.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.928 0.394 . . . . 0.0 110.946 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 26.2 m -144.43 105.21 4.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.338 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 12.0 mt -73.55 132.53 42.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.937 0.399 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 71.0 p -133.48 155.25 80.85 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.668 0.747 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -47.69 -31.99 15.64 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.788 2.326 . . . . 0.0 112.231 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -80.2 -31.42 38.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.929 0.395 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 155.96 176.12 27.73 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.582 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.88 141.64 45.27 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 34.1 mm -118.49 115.29 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -118.56 102.7 9.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.762 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 176' ' ' THR . 4.1 tp10 -131.49 155.25 47.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.135 0.493 . . . . 0.0 110.723 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.461 ' N ' ' HG3' ' A' ' 175' ' ' GLU . 6.2 m -87.07 140.55 29.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.15 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 164' ' ' LYS . 78.2 mt -103.23 -43.2 5.52 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.719 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -138.53 142.51 39.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.114 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' ARG . . . . . 0.429 ' HG3' ' CG ' ' A' ' 161' ' ' GLU . 39.8 ttp180 -141.07 107.27 5.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.763 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -99.82 97.74 8.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.829 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -99.24 129.41 45.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 14.2 mt -103.98 -57.76 1.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.817 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 45.4 t -69.86 155.28 40.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.735 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -92.67 35.64 1.03 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.025 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 8.8 m170 60.53 39.76 17.71 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . 0.474 ' CD2' ' N ' ' A' ' 186' ' ' HIS . 0.1 OUTLIER -45.81 167.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -117.29 157.85 25.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 8.6 m170 52.64 42.4 31.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -88.14 134.61 33.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.771 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.792 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.722 0.296 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 34.5 ttm-85 -88.96 76.21 7.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.85 151.67 25.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.075 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.413 ' CD1' ' O ' ' A' ' 4' ' ' PHE . 28.7 p90 -168.81 135.62 1.86 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.791 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 36.1 pt -85.04 147.42 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.135 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -140.1 163.22 33.29 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.148 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.0 mt -105.97 125.16 61.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.186 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.24 137.61 13.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.049 0.452 . . . . 0.0 110.677 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 10' ' ' SER . 2.8 m -117.15 85.87 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 9' ' ' VAL . 3.1 t -36.43 154.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.45 ' C ' ' OE1' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -42.39 -41.35 2.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.5 p -40.48 -41.67 1.47 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.736 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.484 HG22 ' CE1' ' A' ' 155' ' ' PHE . 76.2 t -85.22 -51.0 14.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.16 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -47.91 -66.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.708 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -48.64 -39.58 24.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.74 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.94 -62.16 2.05 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 120.992 0.425 . . . . 0.0 111.194 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.9 mt -51.86 -42.75 62.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.994 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.2 t -61.6 -40.59 87.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.203 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -52.4 -51.67 57.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.62 -52.01 63.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.117 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.615 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 42.8 mt-30 -45.53 -56.6 4.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -42.18 -43.68 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -72.82 -35.66 67.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.748 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.0 mt -61.57 -48.65 87.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.16 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.54 153.03 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.436 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.2 m -120.31 46.3 2.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.801 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.62 -55.61 3.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.462 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 2.0 pm0 -82.55 -44.09 16.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.018 0.437 . . . . 0.0 111.054 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.462 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -99.97 144.85 28.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.437 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 0.0 OUTLIER -96.56 87.29 4.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.734 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 45.5 mt -114.52 125.66 71.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -94.99 94.31 7.91 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.981 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.615 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 19.5 m-85 -59.63 176.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.578 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 21.2 t -120.18 149.58 22.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.467 ' N ' HG12 ' A' ' 34' ' ' VAL . 10.4 mm-40 -43.07 160.22 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.435 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 61.8 mtt180 -71.46 -39.53 70.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -84.68 19.52 2.0 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.025 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.441 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 2.5 m-80 -125.19 12.52 8.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 28.2 m-85 -93.72 7.36 45.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.01 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.441 ' CE1' ' HA ' ' A' ' 38' ' ' ASN . 2.6 p-80 -56.95 126.53 27.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.933 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 70.1 mt -57.21 120.06 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.293 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.2 m -73.57 90.07 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -47.59 -62.3 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 45' ' ' PHE . 34.5 tttp -142.93 149.03 37.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.448 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 51.9 t80 -96.2 136.41 36.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.062 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.2 mt -107.14 -57.67 2.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.828 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.51 -135.93 12.43 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.652 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -71.02 130.26 41.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.84 0.353 . . . . 0.0 111.082 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 17.9 mt -150.25 147.49 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 74.1 p -99.8 142.67 30.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -50.12 -28.99 8.13 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.744 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -70.31 -36.4 74.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -85.99 -28.84 23.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.15 -57.94 3.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.035 0.445 . . . . 0.0 111.203 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -44.35 -36.43 2.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.408 ' OE2' ' CD1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -58.98 -63.19 1.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.878 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' LYS . 3.2 mp -37.32 -60.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 57' ' ' ILE . 87.4 mttt -33.9 -69.67 0.09 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.066 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -42.64 -54.65 3.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.909 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.408 ' CD1' ' OE2' ' A' ' 56' ' ' GLU . 76.5 mt -43.89 -44.97 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.045 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.2 mt -71.13 -42.88 68.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.986 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -45.89 -57.25 4.5 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.447 ' NZ ' ' HB3' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -64.54 -45.88 85.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 66' ' ' LYS . 59.8 mt -58.73 -71.25 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -41.98 -24.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 64' ' ' ILE . 16.6 tppt? -82.04 -52.19 7.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -61.54 -12.32 14.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.007 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.525 ' CG ' HG12 ' A' ' 103' ' ' ILE . 52.2 m-85 -108.11 159.85 16.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.97 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.9 -178.39 3.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.049 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.7 pttm -118.51 112.76 20.33 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.859 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -96.79 174.46 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.981 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -108.22 100.65 9.94 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.8 m -103.32 171.08 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.431 ' CG ' ' N ' ' A' ' 75' ' ' VAL . 9.3 t-20 -124.48 166.29 16.27 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.431 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 1.4 p -125.74 92.56 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -139.92 133.65 30.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.48 142.33 9.58 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.447 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.3 mt -136.03 142.01 40.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.851 0.358 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.95 163.88 16.15 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.442 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.63 161.27 41.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.803 0.335 . . . . 0.0 111.23 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.692 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 13.1 m-85 -144.5 147.59 36.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.596 0.713 . . . . 0.0 110.801 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.1 Cg_endo -69.72 -35.28 2.75 Favored 'Cis proline' 0 C--N 1.34 0.101 0 C-N-CA 122.803 -1.749 . . . . 0.0 112.307 0.032 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -152.5 158.86 33.25 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.718 0.77 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -47.92 -52.17 8.66 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.61 2.207 . . . . 0.0 112.306 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -43.12 -40.71 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.818 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -133.4 82.37 1.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.126 0.489 . . . . 0.0 110.931 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 82.9 t -74.88 128.97 37.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -122.28 -37.97 2.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.5 t -132.46 119.42 38.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.983 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 67.9 mt -87.19 129.22 39.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.331 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.692 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 40.4 p-90 -145.57 142.89 29.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.67 165.91 12.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -125.4 149.97 17.24 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.589 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.446 HG11 ' N ' ' A' ' 95' ' ' GLU . 96.6 t -109.12 145.12 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.026 0.441 . . . . 0.0 110.884 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.521 ' O ' ' C ' ' A' ' 96' ' ' ASN . 3.9 pt-20 -71.93 -175.84 1.55 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.727 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.521 ' C ' ' O ' ' A' ' 95' ' ' GLU . 2.2 t30 -27.58 103.48 0.02 OUTLIER 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.946 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -118.69 43.82 2.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.81 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -45.67 -66.18 0.44 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.778 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 41.0 mm -43.56 -65.25 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.6 mt -47.75 -30.37 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.244 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.5 ttpp -74.11 -65.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.42 -41.44 6.22 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.0 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.525 HG12 ' CG ' ' A' ' 68' ' ' TYR . 72.0 mt -65.28 -46.24 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.029 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.86 -41.75 64.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.989 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -68.79 -38.28 79.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -63.88 -46.72 83.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 41.2 mt -55.26 -38.69 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.428 ' OD2' ' NZ ' ' A' ' 44' ' ' LYS . 10.0 t0 -77.92 -34.73 51.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.935 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -47.46 -45.65 26.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.974 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -75.99 -51.83 11.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.049 0.452 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 114' ' ' LEU . 25.0 mt -47.39 -41.49 20.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.04 -36.07 0.44 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.014 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -71.09 -37.95 72.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 111' ' ' LEU . 39.4 mt -70.09 -28.12 65.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 119.27 56.64 0.26 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.428 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -122.93 168.09 12.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.974 0.416 . . . . 0.0 110.842 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -93.24 142.61 27.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -108.81 131.35 55.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.968 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -99.82 127.32 45.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -54.63 -69.02 1.38 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.533 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.14 139.54 33.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.794 0.33 . . . . 0.0 110.95 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.566 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 1.0 OUTLIER -98.98 138.49 36.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.003 179.777 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 18.2 t -132.26 122.01 47.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.218 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.25 99.91 11.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.094 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.409 ' C ' HD13 ' A' ' 126' ' ' ILE . 3.8 p-80 -135.2 164.9 26.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.98 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.488 ' N ' HD13 ' A' ' 126' ' ' ILE . 2.5 mp -134.6 109.66 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.388 . . . . 0.0 111.122 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 88.0 m -66.95 113.88 5.32 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.018 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 65.4 mt -79.6 -36.82 37.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 174.08 169.03 35.79 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.466 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -108.05 152.71 24.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.795 0.331 . . . . 0.0 110.775 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 60.9 t -101.92 114.21 40.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -80.85 -54.56 5.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.803 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.437 ' CE2' ' HG3' ' A' ' 30' ' ' LYS . 7.0 p90 -161.31 138.9 9.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.455 ' CG2' ' N ' ' A' ' 135' ' ' LYS . 2.7 p -136.73 158.12 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.19 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.455 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 31.9 mmtt -112.05 -45.44 3.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.822 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -71.46 112.33 7.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.044 0.45 . . . . 0.0 110.811 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -75.52 -58.67 3.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.077 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.427 ' C ' ' HG3' ' A' ' 142' ' ' MET . 25.0 mt -48.68 -54.54 14.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.704 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 138' ' ' LEU . . . -37.79 -39.36 0.6 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.627 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 58.7 mt -53.68 -50.83 64.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 143' ' ' LYS . . . -81.06 -56.0 4.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.96 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.427 ' HG3' ' C ' ' A' ' 138' ' ' LEU . 2.1 mtt -39.99 -28.64 0.06 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.061 0.458 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 141' ' ' ALA . 6.8 ttmt -83.82 -53.78 5.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.993 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 148' ' ' ALA . 46.6 mt -40.82 -47.59 2.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.987 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -41.17 69.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.671 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -75.44 -31.71 60.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.2 mp -112.56 32.72 5.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.027 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 144' ' ' LEU . . . -86.92 -46.27 10.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.31 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -134.03 27.98 3.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.763 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.597 ' OE2' ' CE2' ' A' ' 152' ' ' PHE . 0.0 OUTLIER -61.26 142.86 56.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -85.26 144.88 27.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . 0.597 ' CE2' ' OE2' ' A' ' 150' ' ' GLU . 42.8 m-85 -125.89 -32.83 2.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . 0.411 ' O ' ' ND2' ' A' ' 74' ' ' ASN . . . 137.08 -173.55 22.13 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.548 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 32.1 p -138.44 166.16 24.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.789 0.328 . . . . 0.0 111.035 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . 0.484 ' CE1' HG22 ' A' ' 13' ' ' VAL . 53.8 p90 -166.25 166.29 16.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.767 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 92.3 mt -113.36 120.96 64.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 96.1 t -68.11 94.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.426 ' C ' HD11 ' A' ' 182' ' ' LEU . 13.6 mt-10 -90.85 -72.67 0.56 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.108 0.48 . . . . 0.0 110.8 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -97.31 166.81 11.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . 0.462 ' CG2' ' N ' ' A' ' 161' ' ' GLU . 97.1 mt -116.43 158.84 16.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.462 ' N ' ' CG2' ' A' ' 160' ' ' ILE . 0.7 OUTLIER -141.79 125.39 16.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.927 179.868 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 17.8 tp -108.0 131.27 54.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.037 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -122.38 154.85 37.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.843 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -117.84 129.57 55.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.904 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 28.7 t -113.61 126.72 55.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.105 0.478 . . . . 0.0 110.772 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 79.8 m -134.23 105.29 6.56 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.179 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 10.1 mt -70.34 134.46 47.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 68.4 p -139.76 155.41 71.33 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.697 0.761 . . . . 0.0 111.089 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -48.24 -31.75 17.77 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.613 2.208 . . . . 0.0 112.447 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -27.75 38.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.977 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 152.95 174.07 22.96 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.554 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.9 127.78 14.97 Favored 'Trans proline' 0 C--N 1.34 0.118 0 C-N-CA 122.532 2.154 . . . . 0.0 112.496 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 28.4 mm -99.08 143.05 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.986 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -140.89 130.2 23.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.805 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -157.37 139.29 14.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.784 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 96.5 m -70.69 147.25 49.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.01 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 20.9 mt -114.68 -40.31 3.59 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -142.97 145.43 32.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.121 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 18.7 mtt-85 -137.68 105.84 5.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.001 0.429 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -103.47 97.83 7.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -100.12 129.44 46.15 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.426 HD11 ' C ' ' A' ' 158' ' ' GLU . 82.0 mt -73.22 -66.64 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.877 0.37 . . . . 0.0 110.971 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 18.8 m -148.55 143.9 26.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.743 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.19 40.2 0.75 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.057 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -51.21 153.68 1.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -49.48 115.06 1.19 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.844 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.428 ' CD2' ' O ' ' A' ' 187' ' ' HIS . 15.9 p-80 -144.35 129.15 18.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.823 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 49.88 41.27 22.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.54 ' CG ' ' O ' ' A' ' 189' ' ' HIS . 17.9 p-80 -55.13 105.93 0.2 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.001 0.429 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 121.101 0.477 . . . . 0.0 110.868 179.933 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ptt? . . . . . 0 C--O 1.234 0.251 0 CA-C-O 120.764 0.316 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 2' ' ' ARG . 3.6 ptm180 -97.33 83.78 3.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.805 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.431 ' HB2' ' CD1' ' A' ' 46' ' ' LEU . . . -72.41 151.64 42.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.197 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -162.16 143.16 10.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.1 pt -104.0 140.15 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.999 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.442 ' CB ' ' HB2' ' A' ' 40' ' ' HIS . . . -136.38 171.23 14.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.978 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.1 mt -107.08 116.61 51.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.045 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.01 129.88 4.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.823 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.7 m -108.4 91.0 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.059 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.8 t -43.98 167.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.815 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -51.36 -42.93 61.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.2 p -43.55 -30.17 0.56 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.1 t -97.75 -50.57 11.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -48.6 -54.44 14.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.784 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -65.11 -34.88 79.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.968 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.8 -65.99 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 69.5 mt -53.97 -50.31 66.82 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.96 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.3 t -51.31 -43.07 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.151 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -49.19 -45.37 44.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.03 -48.99 77.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.21 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.637 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 59.6 mt-30 -45.38 -58.68 3.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.031 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -40.69 -35.5 0.49 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.038 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -80.32 -44.44 19.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.059 0.457 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.0 mt -51.69 -67.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.281 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.87 168.92 6.92 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.5 t -130.16 47.17 2.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -75.12 -62.69 1.47 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.457 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 2.9 pm0 -87.13 -39.43 15.55 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.457 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -100.95 152.14 20.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.423 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 24.8 mmmt -108.63 109.65 20.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.847 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.415 HD13 ' CD1' ' A' ' 90' ' ' ILE . 37.1 mt -134.12 126.46 49.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -90.29 98.66 11.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.925 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.637 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 18.4 m-85 -60.56 -179.07 0.11 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.995 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.537 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 49.2 t -129.66 140.15 49.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 34' ' ' VAL . 50.1 mm-40 -36.35 154.22 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.465 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 79.1 mtt180 -66.56 -46.24 76.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -76.13 7.79 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.015 0.436 . . . . 0.0 110.994 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.484 ' N ' HD21 ' A' ' 38' ' ' ASN . 1.4 m-80 -111.73 6.51 19.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.823 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.537 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 20.4 m-85 -86.62 7.37 26.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.994 0.426 . . . . 0.0 110.996 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.442 ' HB2' ' CB ' ' A' ' 6' ' ' ALA . 2.5 p-80 -51.9 132.3 31.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.734 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.7 mt -70.24 113.84 6.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.215 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.1 m -64.92 101.73 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.285 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.0 tt -76.54 -48.52 19.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.5 ' NZ ' ' CG2' ' A' ' 107' ' ' ILE . 0.0 OUTLIER -150.91 134.77 16.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.797 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -99.22 150.87 21.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.431 HD23 ' CD ' ' A' ' 44' ' ' LYS . 14.2 mt -117.08 -63.37 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.002 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.85 -138.99 14.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.505 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.421 ' C ' HG13 ' A' ' 49' ' ' ILE . 29.7 tt0 -66.63 127.23 31.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.965 0.412 . . . . 0.0 110.848 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.422 HD11 ' CB ' ' A' ' 46' ' ' LEU . 10.0 mt -152.49 147.8 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.4 p -94.73 143.49 26.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -42.83 -27.04 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -82.26 -50.73 8.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.705 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.403 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 15.1 mm100 -62.79 -29.04 70.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.01 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.55 -61.03 1.7 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.975 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -52.07 -35.81 48.65 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -51.54 -35.06 39.24 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.471 HG13 ' CD2' ' A' ' 111' ' ' LEU . 4.3 mp -80.18 -56.94 5.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.186 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' ILE . 81.5 mttt -36.27 -60.2 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -45.33 -43.42 10.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 57' ' ' ILE . 56.9 mt -58.08 -38.73 69.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.07 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 27.4 mt -70.3 -33.58 71.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -55.87 -54.34 45.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -61.02 -50.7 72.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.981 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.465 ' CD1' ' HA ' ' A' ' 107' ' ' ILE . 19.5 mt -57.57 -66.66 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.146 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -44.74 -20.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 64' ' ' ILE . 6.5 ttmt -88.58 -46.56 8.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -65.55 -11.85 47.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.972 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.542 ' CD2' HG12 ' A' ' 103' ' ' ILE . 43.5 m-85 -106.61 162.99 13.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.99 173.79 6.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.987 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -85.32 110.34 19.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.465 ' CD2' ' H ' ' A' ' 72' ' ' GLU . 10.9 t-160 -98.78 163.47 12.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.838 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.465 ' H ' ' CD2' ' A' ' 71' ' ' HIS . 24.5 tt0 -114.21 110.05 19.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.018 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.4 m -115.82 169.26 6.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.056 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -121.33 161.79 21.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.9 p -123.8 106.96 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -156.7 147.76 22.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.907 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.84 145.67 19.05 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 50.3 mt -142.63 137.29 28.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 111.209 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -118.57 168.35 13.2 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.9 m -136.0 164.85 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.018 0.437 . . . . 0.0 111.08 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.568 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 11.8 m-85 -149.22 153.27 37.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.722 0.773 . . . . 0.0 110.888 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.9 Cg_endo -69.86 -21.61 10.22 Favored 'Cis proline' 0 C--N 1.344 0.324 0 C-N-CA 122.598 -1.834 . . . . 0.0 112.435 0.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.447 ' CG ' ' C ' ' A' ' 82' ' ' PRO . 0.3 OUTLIER -163.36 159.37 18.04 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.701 0.762 . . . . 0.0 110.901 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.73 -64.33 0.25 Allowed 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.702 2.268 . . . . 0.0 112.409 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -39.33 -36.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.041 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -131.5 91.38 3.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 71.7 t -82.55 134.53 26.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.217 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -128.68 -38.29 1.71 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.762 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 89.3 t -135.97 119.27 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.415 ' CD1' HD13 ' A' ' 31' ' ' ILE . 64.8 mt -88.09 128.07 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.974 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.568 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 49.2 p-90 -144.89 143.62 30.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.959 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.53 166.32 12.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.076 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.2 147.93 16.66 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.519 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.8 t -99.55 142.79 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.937 0.398 . . . . 0.0 111.092 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.504 ' O ' ' C ' ' A' ' 96' ' ' ASN . 15.2 mt-10 -70.87 -176.35 1.32 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.504 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.3 p-10 -30.0 100.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -124.87 50.4 1.75 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -54.34 -62.99 1.3 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 29.1 mm -42.48 -56.46 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.991 0.424 . . . . 0.0 111.249 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 82.0 mt -50.74 -35.39 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.018 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -68.93 -60.45 2.36 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.984 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -51.61 -39.9 58.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.068 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.542 HG12 ' CD2' ' A' ' 68' ' ' TYR . 60.1 mt -66.36 -50.3 68.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.019 0.437 . . . . 0.0 111.144 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.25 -45.94 72.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.122 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -61.98 -47.97 82.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -65.04 -25.33 67.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.005 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.5 ' CG2' ' NZ ' ' A' ' 44' ' ' LYS . 62.1 mt -75.57 -44.48 40.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.239 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -76.7 -32.64 58.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.825 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -53.75 -43.94 69.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.027 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -67.91 -47.87 67.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 114' ' ' LEU . 33.7 mt -56.33 -40.33 74.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -38.52 -35.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.961 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -70.89 -42.8 69.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.737 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 111' ' ' LEU . 28.7 mt -64.95 -19.07 65.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.97 0.414 . . . . 0.0 111.064 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 108.3 55.75 0.59 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.58 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -124.53 170.96 10.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.002 0.429 . . . . 0.0 110.784 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -85.71 147.8 26.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.051 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -119.16 127.22 53.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -97.89 107.14 19.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -46.33 -76.72 0.12 Allowed Glycine 0 C--O 1.228 -0.252 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.459 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.71 113.38 24.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.669 0.271 . . . . 0.0 111.057 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -89.29 145.44 25.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.022 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 62.3 t -142.35 115.87 4.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.266 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.84 107.41 9.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.157 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -141.4 166.84 23.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.54 HD11 ' N ' ' A' ' 126' ' ' ILE . 1.7 mp -138.49 107.92 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.011 0.434 . . . . 0.0 111.164 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 84.3 m -66.57 118.89 10.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.048 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 74.1 mt -83.32 -30.71 27.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.083 0.468 . . . . 0.0 111.055 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 165.52 161.27 14.15 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -97.74 155.41 17.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.076 0.465 . . . . 0.0 110.746 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 94.7 t -101.52 124.26 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -84.27 -60.18 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.771 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.494 ' O ' ' CD1' ' A' ' 133' ' ' PHE . 4.7 p90 -164.01 132.01 3.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.038 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.401 ' CG2' ' N ' ' A' ' 135' ' ' LYS . 1.8 p -127.18 153.13 36.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.092 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.401 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 54.2 tttm -107.51 -42.0 4.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -85.31 96.33 9.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 138' ' ' LEU . 35.7 mttp -64.62 -67.37 0.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 137' ' ' LYS . 48.6 mt -34.91 -45.07 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.815 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -48.63 -47.08 30.29 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.495 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 48.9 mt -49.43 -60.34 2.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.765 0.317 . . . . 0.0 110.821 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.84 -60.98 2.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.109 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 7.6 mmt -40.38 -32.31 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -81.55 -52.02 7.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.974 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 58.6 mt -40.78 -48.72 3.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.187 0.517 . . . . 0.0 110.921 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -49.47 -43.77 45.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.85 -38.68 91.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.755 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.5 mp -100.31 33.84 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.009 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -96.64 -39.83 9.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.186 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 150' ' ' GLU . 70.9 m-20 -110.01 -26.71 9.58 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 149' ' ' ASN . 3.5 tp10 -34.67 110.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.102 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 153' ' ' GLY . 7.8 t70 -73.3 152.47 40.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -115.6 -29.94 6.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.799 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' A' ' 151' ' ' ASP . . . 132.99 -165.54 23.93 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.421 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 14.9 p -146.86 167.02 24.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 0.0 110.945 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -164.67 165.52 20.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.711 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 49.0 mt -111.66 127.83 68.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.073 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 47.5 t -71.21 104.2 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.42 ' C ' HD13 ' A' ' 182' ' ' LEU . 9.6 mt-10 -100.21 -72.17 0.68 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.991 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -101.46 171.47 7.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.072 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 95.8 mt -121.31 145.37 27.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.078 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -120.06 127.02 52.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 33.0 tp -114.13 105.53 13.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -111.59 161.29 16.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.125 0.488 . . . . 0.0 110.86 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 165' ' ' SER . 2.2 tmmm? -133.13 152.44 51.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.737 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.546 ' OG ' ' CE1' ' A' ' 174' ' ' TYR . 1.4 m -116.7 142.55 46.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.794 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 65.8 m -134.88 98.81 4.12 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.29 131.04 45.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 30.5 p -138.37 155.6 73.88 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.244 0.545 . . . . 0.0 111.339 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -48.09 -33.75 21.78 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.85 2.367 . . . . 0.0 112.206 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -22.99 42.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.012 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 146.79 172.02 16.65 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.286 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.78 130.48 19.39 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.586 2.191 . . . . 0.0 112.398 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 32.6 mm -105.04 142.39 18.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.025 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . 0.546 ' CE1' ' OG ' ' A' ' 165' ' ' SER . 4.6 m-85 -127.54 120.98 29.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.107 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -143.45 151.7 40.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.834 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 21.2 m -86.18 148.25 25.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 19.9 mt -116.06 -45.96 2.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -141.45 137.96 32.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.015 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.54 109.76 11.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.843 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 180' ' ' PHE . 2.2 m-85 -93.27 97.57 10.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -101.1 129.08 46.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.772 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.42 HD13 ' C ' ' A' ' 158' ' ' GLU . 80.2 mt -70.13 -60.5 2.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.078 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 8.4 t -142.58 178.31 7.7 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.727 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -61.13 149.75 36.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -147.93 107.83 4.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.993 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.79 85.11 0.03 OUTLIER 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.016 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.424 ' O ' ' CG ' ' A' ' 187' ' ' HIS . 6.3 p80 -97.53 122.42 40.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 25.7 p-80 -141.93 149.14 39.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.912 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 189' ' ' HIS . 9.9 p80 -156.29 114.67 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.65 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.911 179.826 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ptt? . . . . . 0 C--O 1.234 0.272 0 CA-C-O 120.516 0.198 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.441 ' CG ' ' HB3' ' A' ' 165' ' ' SER . 10.1 ptp180 -98.26 86.59 3.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.744 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.419 ' HB1' ' CD1' ' A' ' 49' ' ' ILE . . . -78.89 160.65 27.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.958 0.409 . . . . 0.0 111.043 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -170.65 143.61 2.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.679 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.2 pt -95.95 138.23 21.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.328 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -137.45 163.28 31.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.276 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.5 mt -104.16 125.24 58.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -49.33 144.48 5.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.955 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.8 m -118.5 90.18 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.23 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 m -38.34 154.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 12' ' ' SER . 6.5 mm-40 -42.86 -52.25 5.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.718 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 11' ' ' GLU . 13.9 t -34.52 -49.5 0.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.037 0.446 . . . . 0.0 110.693 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.2 t -75.62 -53.78 15.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.028 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -43.11 -54.33 4.45 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -68.83 -31.98 71.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.3 -55.24 36.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.052 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.512 HD23 ' CE1' ' A' ' 152' ' ' PHE . 84.7 mt -63.49 -49.55 73.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.75 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.6 t -55.13 -40.74 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.262 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -49.68 -46.03 49.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.17 -50.51 71.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.687 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 50.8 mt-30 -46.29 -55.51 7.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.999 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.71 -47.28 10.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.725 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -66.13 -37.56 85.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.948 0.404 . . . . 0.0 110.974 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.454 HD12 ' CD2' ' A' ' 147' ' ' LEU . 86.1 mt -63.17 -60.7 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.091 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.34 173.76 8.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.382 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.7 p -134.46 48.28 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.357 . . . . 0.0 110.915 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -74.23 -57.45 3.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.0 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.04 -42.22 10.64 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.753 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.29 147.57 25.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.429 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 6.0 tmtm? -103.09 103.2 13.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.986 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 34.1 mt -123.5 119.4 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.081 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -87.57 81.78 7.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.737 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.687 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 16.6 m-85 -56.26 173.31 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.601 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 85.0 t -105.05 145.73 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -49.13 176.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.51 ' HA ' ' CD2' ' A' ' 39' ' ' PHE . 46.1 mtt180 -82.2 -41.13 20.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -81.93 18.49 1.3 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.815 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.462 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -135.05 22.81 3.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.869 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.601 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 11.3 m-85 -96.24 10.69 37.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -56.26 149.91 15.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.713 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.1 mt -86.84 112.43 23.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.204 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.0 m -64.79 97.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.056 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.432 HD22 ' C ' ' A' ' 43' ' ' LEU . 5.4 tt -68.44 -46.64 69.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.465 ' CE ' HG23 ' A' ' 107' ' ' ILE . 0.2 OUTLIER -157.17 129.91 7.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.879 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -93.2 139.72 30.3 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.787 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.424 HD23 ' NZ ' ' A' ' 44' ' ' LYS . 81.4 mt -103.63 -63.08 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.957 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.37 -132.39 11.01 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.503 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.33 120.17 12.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.94 0.4 . . . . 0.0 110.949 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.419 ' CD1' ' HB1' ' A' ' 3' ' ' ALA . 26.1 mt -137.78 152.6 26.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.142 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 51' ' ' GLU . 21.3 p -105.18 138.85 40.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 50' ' ' THR . 5.2 mp0 -34.08 -37.96 0.05 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.988 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' THR . 21.3 mt-10 -69.81 -66.32 0.61 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 56' ' ' GLU . 79.6 mm-40 -43.19 -39.51 2.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.07 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -39.22 -61.93 0.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.02 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 56' ' ' GLU . 2.8 pt-20 -56.62 -26.83 56.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.762 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 53' ' ' GLN . 6.5 tp10 -61.39 -55.95 25.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 58' ' ' LYS . 4.1 mp -54.92 -59.79 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.1 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.446 ' HE2' ' CB ' ' A' ' 178' ' ' ALA . 8.3 mtpm? -35.97 -56.84 0.71 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.204 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -45.43 -50.11 12.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 57.7 mt -59.08 -51.53 71.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.169 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.0 mt -51.11 -30.77 17.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.892 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -74.73 -32.2 62.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.788 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 45.7 mttt -78.3 -28.84 47.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.77 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.476 ' HA ' ' CD ' ' A' ' 67' ' ' LYS . 90.2 mt -87.67 -54.95 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.31 -20.25 0.37 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.005 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.48 -25.96 14.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.816 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.476 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 1.5 ptmt -78.77 -18.67 53.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.433 ' CD2' HG12 ' A' ' 103' ' ' ILE . 39.7 m-85 -106.99 157.5 17.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.76 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -99.46 175.05 5.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.012 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.463 ' HB3' ' CG2' ' A' ' 156' ' ' ILE . 7.5 mptt -97.71 108.75 21.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.862 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -98.6 164.4 12.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -107.35 123.13 47.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.2 m -128.28 165.51 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 153' ' ' GLY . 9.2 t-20 -118.64 162.79 17.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.911 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.5 p -124.03 112.05 31.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.468 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 17.9 ttp180 -157.19 150.82 24.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.725 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.468 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 94.28 151.04 27.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.648 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.8 mt -142.58 129.41 18.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.695 0.283 . . . . 0.0 111.272 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.536 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -107.32 156.19 16.03 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.591 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.9 m -126.26 163.0 29.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.819 0.342 . . . . 0.0 111.265 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.565 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 10.2 m-85 -149.52 152.0 34.41 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.674 0.749 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 53.1 Cg_endo -69.92 -20.07 11.11 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.28 0.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -168.4 162.94 8.66 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.602 0.715 . . . . 0.0 110.957 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -47.83 -62.04 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.749 2.299 . . . . 0.0 112.248 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' A' ' 86' ' ' TYR . 1.6 p-10 -38.86 -37.43 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.815 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.422 ' HB2' ' ND2' ' A' ' 85' ' ' ASN . 5.4 t80 -133.8 95.84 3.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.086 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 63.9 t -89.71 128.7 41.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -125.55 -42.3 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.013 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 58.3 t -125.96 120.41 57.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.092 0.472 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 70.3 mt -91.81 121.61 42.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.027 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.565 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 39.1 p-90 -135.17 141.73 45.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.926 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.23 162.34 15.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.869 0.366 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.98 138.25 11.26 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.508 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 95' ' ' GLU . 97.0 t -93.82 149.94 4.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.743 0.306 . . . . 0.0 111.214 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.523 ' O ' ' C ' ' A' ' 96' ' ' ASN . 23.0 mt-10 -71.81 -176.05 1.56 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.097 0.475 . . . . 0.0 110.668 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.523 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.1 p30 -27.07 114.81 0.07 Allowed 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.834 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -131.17 37.14 3.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -47.5 -63.22 1.11 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.783 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 47.9 mm -45.87 -45.28 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.64 -42.6 88.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.548 ' HG2' ' CD1' ' A' ' 122' ' ' PHE . 5.9 mtmp? -56.27 -56.76 17.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -45.74 -55.94 5.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.949 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.455 HG22 ' CD1' ' A' ' 107' ' ' ILE . 63.6 mt -54.17 -50.65 53.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.368 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.57 -32.72 59.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.996 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -78.07 -47.52 18.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.909 0.385 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -60.94 -50.98 71.21 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.004 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.465 HG23 ' CE ' ' A' ' 44' ' ' LYS . 60.6 mt -50.87 -47.74 29.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.218 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 111' ' ' LEU . 8.0 t0 -68.32 -53.01 27.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.696 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 108' ' ' ASP . 10.2 t0 -34.77 -47.53 0.34 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.919 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -68.88 -41.49 78.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.493 ' HB3' ' CD1' ' A' ' 116' ' ' PHE . 71.5 mt -61.56 -41.12 96.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 111' ' ' LEU . . . -36.72 -39.87 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.961 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -67.72 -42.48 81.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.773 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 111' ' ' LEU . 26.6 mt -64.86 -29.27 70.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.151 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 122.43 55.11 0.21 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.46 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.493 ' CD1' ' HB3' ' A' ' 111' ' ' LEU . 89.5 m-85 -131.32 151.38 51.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.115 0.483 . . . . 0.0 110.936 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.59 135.87 34.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.041 0.448 . . . . 0.0 110.728 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -110.4 142.09 42.57 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -98.27 124.48 42.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.44 -62.03 6.42 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.283 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -92.99 111.55 23.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.895 0.379 . . . . 0.0 110.983 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.548 ' CD1' ' HG2' ' A' ' 101' ' ' LYS . 1.1 t80 -88.84 139.25 30.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.037 0.446 . . . . 0.0 110.88 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.413 HG22 ' C ' ' A' ' 122' ' ' PHE . 34.7 t -136.21 115.35 16.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.067 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.23 106.49 11.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.975 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.428 ' C ' HD11 ' A' ' 126' ' ' ILE . 25.3 p-80 -140.96 161.55 37.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.515 HD11 ' N ' ' A' ' 126' ' ' ILE . 4.4 mp -131.93 103.63 7.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.174 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 91.0 m -55.29 109.42 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.13 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 51.2 mt -73.56 -39.8 64.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 176.72 -176.81 48.07 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.566 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 -125.92 146.29 49.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 87.0 t -91.79 127.19 44.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.03 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -95.02 -62.15 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.032 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.483 ' O ' ' CD1' ' A' ' 133' ' ' PHE . 7.5 p90 -149.81 132.31 15.73 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.845 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 3.0 p -133.34 150.78 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.411 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -110.95 -50.7 2.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -76.91 108.98 10.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 138' ' ' LEU . 3.2 mppt? -71.53 -63.94 1.02 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 137' ' ' LYS . 31.4 mt -37.41 -52.92 1.14 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -43.31 -42.39 5.52 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.512 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 69.5 mt -52.58 -63.67 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.769 0.318 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.44 -60.0 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.4 mmt -38.26 -38.25 0.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -70.73 -59.04 3.04 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.823 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 29.8 mt -38.9 -54.14 1.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.885 0.374 . . . . 0.0 110.746 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -50.66 -42.95 57.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.731 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.9 -37.41 87.56 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.04 0.448 . . . . 0.0 111.015 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.454 ' CD2' HD12 ' A' ' 24' ' ' ILE . 8.2 mp -107.43 39.47 1.89 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.986 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -99.01 -37.71 9.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.981 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 150' ' ' GLU . 33.7 m120 -108.1 -24.66 11.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.855 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 149' ' ' ASN . 8.0 tm-20 -34.97 121.8 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.06 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -87.66 153.46 21.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . 0.512 ' CE1' HD23 ' A' ' 17' ' ' LEU . 81.8 m-85 -112.59 -33.57 6.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.816 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . 0.427 ' O ' ' ND2' ' A' ' 74' ' ' ASN . . . 136.9 -163.45 25.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.425 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.8 m -146.61 159.63 43.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -165.49 169.78 15.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' A' ' 70' ' ' LYS . 77.1 mt -112.6 130.02 67.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.056 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 55.4 t -84.13 99.9 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.108 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.449 ' HA ' ' CG ' ' A' ' 70' ' ' LYS . 16.3 mp0 -98.79 -69.89 0.75 Allowed 'General case' 0 C--O 1.224 -0.255 0 CA-C-O 121.077 0.465 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 180' ' ' PHE . . . -86.0 176.17 8.18 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.058 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . 0.451 HG23 ' N ' ' A' ' 161' ' ' GLU . 66.9 mt -131.08 153.01 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.283 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.451 ' N ' HG23 ' A' ' 160' ' ' ILE . 1.2 tm-20 -129.43 127.72 41.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.815 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . 0.419 ' N ' ' OE2' ' A' ' 161' ' ' GLU . 35.5 tp -115.97 120.93 40.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.792 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -126.79 155.48 42.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.991 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.41 ' HB3' ' CD1' ' A' ' 177' ' ' LEU . 10.3 pttm -127.56 151.65 48.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.027 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.468 ' OG ' ' CE1' ' A' ' 174' ' ' TYR . 6.7 t -118.21 139.4 51.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.001 0.429 . . . . 0.0 110.64 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 88.1 m -135.14 100.95 4.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.237 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 18.4 mt -67.44 128.06 35.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 18.1 p -130.7 158.05 75.94 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.671 0.748 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -48.13 -31.47 16.59 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.782 2.321 . . . . 0.0 112.235 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.42 -33.65 36.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.962 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 159.35 176.67 31.67 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.673 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.53 121.91 8.65 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.716 2.277 . . . . 0.0 112.387 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . 0.401 HG23 ' N ' ' A' ' 174' ' ' TYR . 20.0 mm -97.39 137.8 24.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . 0.468 ' CE1' ' OG ' ' A' ' 165' ' ' SER . 4.3 m-85 -128.54 114.97 17.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.048 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 176' ' ' THR . 9.7 tp10 -133.37 158.42 43.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.992 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.468 ' N ' ' HG3' ' A' ' 175' ' ' GLU . 18.8 m -91.71 146.49 23.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.026 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . 0.445 ' N ' HG21 ' A' ' 176' ' ' THR . 34.4 mt -112.4 -42.82 3.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.087 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.446 ' CB ' ' HE2' ' A' ' 58' ' ' LYS . . . -140.75 141.36 34.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.203 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -136.3 105.11 5.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.984 0.421 . . . . 0.0 110.81 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.467 ' O ' ' CB ' ' A' ' 159' ' ' ALA . 18.3 m-85 -110.18 99.14 8.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -98.01 136.56 38.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.408 HD11 ' C ' ' A' ' 158' ' ' GLU . 24.1 mt -115.79 -60.4 1.87 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.085 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 22.9 t -44.65 160.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.684 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -143.17 168.89 18.69 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.86 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -118.07 89.14 3.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.703 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -107.98 -58.22 2.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -120.2 83.01 1.98 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.796 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 189' ' ' HIS . 23.6 t60 -121.64 84.94 2.32 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.773 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 188' ' ' HIS . 6.9 m170 36.37 42.0 0.17 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.78 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.01 179.847 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.505 ' CG ' ' O ' ' A' ' 1' ' ' MET . 9.9 ttt . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.981 0.42 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.5 ttt85 -74.35 72.73 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.042 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.455 ' CB ' HD12 ' A' ' 49' ' ' ILE . . . -63.77 154.82 32.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -167.16 134.25 2.37 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.735 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 26.1 pt -91.36 137.99 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -133.7 162.88 30.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.903 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.1 mt -106.74 134.33 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.91 130.84 47.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 10' ' ' SER . 3.2 m -111.27 89.31 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.953 0.406 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 9' ' ' VAL . 3.8 t -35.15 152.42 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -42.83 -37.88 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.807 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.2 t -41.67 -42.55 2.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.3 t -86.25 -54.91 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.21 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.8 mtt180 -42.83 -53.22 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.836 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.7 -35.81 79.09 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 19' ' ' ARG . . . -62.02 -68.82 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.957 0.408 . . . . 0.0 111.125 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.0 mt -41.05 -45.46 2.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.956 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.7 t -56.91 -36.94 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.049 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 16' ' ' ALA . 3.8 tpt180 -54.78 -45.26 74.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.55 -48.01 81.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.158 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.53 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 46.7 mt-30 -51.29 -60.47 3.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -41.42 -39.17 1.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.435 ' CE2' ' HG2' ' A' ' 143' ' ' LYS . 47.9 t80 -71.27 -36.44 71.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' GLN . 39.0 mt -68.94 -58.81 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.17 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.75 162.88 0.23 Allowed Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.611 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.2 m -118.03 38.65 3.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.893 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.6 mttm -70.64 -53.23 16.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.439 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -98.46 -39.76 8.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.901 179.789 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.439 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -99.96 149.33 23.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -105.77 100.7 10.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 53.3 mt -123.59 117.63 51.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -80.43 79.25 7.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.841 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.53 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 12.1 m-85 -56.02 163.77 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.969 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 50.9 t -105.15 148.78 9.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.237 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -41.1 163.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.795 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -76.28 -45.49 32.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 37' ' ' GLU . 10.3 tt0 -73.77 3.99 5.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.786 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -111.57 20.5 17.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.093 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -93.31 7.86 42.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.704 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -55.21 143.31 28.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.9 mt -79.53 119.26 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.068 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.2 m -69.97 92.59 0.73 Allowed 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.039 0.447 . . . . 0.0 111.171 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.475 ' O ' ' CE1' ' A' ' 122' ' ' PHE . 5.4 tt -51.28 -53.73 32.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 45' ' ' PHE . 30.7 tttm -153.46 147.33 25.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.128 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.413 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 46.3 t80 -99.85 140.05 34.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.987 0.423 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.8 mt -111.82 -64.52 1.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.49 -130.85 10.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.353 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.418 ' C ' HG13 ' A' ' 49' ' ' ILE . 16.2 mt-10 -74.05 136.87 43.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.709 0.29 . . . . 0.0 110.838 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.471 HG23 ' N ' ' A' ' 50' ' ' THR . 27.0 mt -149.2 155.55 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.511 ' HG1' ' NE2' ' A' ' 53' ' ' GLN . 34.7 p -97.38 135.94 38.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.089 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -41.01 -26.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.963 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 50' ' ' THR . 21.5 mt-10 -79.15 -49.2 12.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.733 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.511 ' NE2' ' HG1' ' A' ' 50' ' ' THR . 0.2 OUTLIER -68.48 -24.9 64.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.87 0.367 . . . . 0.0 110.747 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.69 -55.82 8.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.337 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -58.97 -20.7 55.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -71.07 -45.14 64.33 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.422 ' N ' HD13 ' A' ' 57' ' ' ILE . 1.9 mp -56.42 -42.48 75.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.155 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -62.54 -71.68 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -35.53 -38.31 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.022 179.671 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.468 ' N ' ' HG3' ' A' ' 59' ' ' LYS . 91.4 mt -66.22 -50.03 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 58' ' ' LYS . 25.3 mt -60.92 -32.43 71.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.951 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -54.33 -47.64 72.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -52.43 17.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.887 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.455 ' CD1' ' HA ' ' A' ' 107' ' ' ILE . 40.1 mt -51.18 -61.37 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.29 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.22 -16.32 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.083 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -97.48 -34.79 10.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.059 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -13.4 61.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.005 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.557 ' CD2' HG12 ' A' ' 103' ' ' ILE . 46.2 m-85 -106.83 155.4 19.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.044 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 172.06 8.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.751 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -86.79 100.15 12.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.787 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -91.86 155.53 18.13 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.84 112.79 23.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.748 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.6 m -113.98 165.01 9.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.086 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -115.1 152.53 32.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.742 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -112.48 98.4 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.048 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -143.01 155.61 44.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.045 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.49 137.2 3.1 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.547 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 70.7 mt -135.51 136.5 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.931 0.396 . . . . 0.0 110.922 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.509 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -114.76 170.42 13.25 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.527 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.7 m -137.42 157.36 34.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 111.213 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.613 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 11.6 m-85 -137.99 153.32 73.43 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.502 0.668 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 52.9 Cg_endo -69.79 -28.79 6.08 Favored 'Cis proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.826 -1.739 . . . . 0.0 112.188 0.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -155.89 158.7 31.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.685 0.755 . . . . 0.0 111.032 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -47.94 -55.68 3.79 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.621 2.214 . . . . 0.0 112.428 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -43.11 -40.5 3.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.772 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -131.22 90.31 2.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 74.8 t -79.46 131.86 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.179 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -127.31 -30.76 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.2 t -142.67 122.09 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.234 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 96.1 mt -89.07 128.29 41.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.613 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 19.5 p-90 -139.97 140.93 36.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.885 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.8 159.44 15.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.78 150.74 16.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.404 HG11 ' N ' ' A' ' 95' ' ' GLU . 90.4 t -109.13 146.72 14.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.877 0.37 . . . . 0.0 111.042 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.537 ' O ' ' C ' ' A' ' 96' ' ' ASN . 6.2 pt-20 -71.79 -175.71 1.46 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.537 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.9 OUTLIER -26.64 109.71 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.13 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.41 29.82 6.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.776 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -40.38 -61.93 0.84 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.815 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 11.3 mm -42.79 -47.65 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 58.9 mt -66.85 -34.53 70.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.215 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -61.98 -63.07 1.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.948 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -50.44 -29.54 10.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.557 HG12 ' CD2' ' A' ' 68' ' ' TYR . 65.5 mt -73.46 -44.69 53.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.194 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.08 -36.28 77.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.222 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -71.67 -42.73 67.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -60.42 -50.05 75.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.455 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 53.1 mt -51.49 -39.37 22.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.323 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 111' ' ' LEU . 4.9 t70 -75.58 -49.32 18.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.949 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 108' ' ' ASP . 6.1 t0 -37.3 -32.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.021 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 108' ' ' ASP . 3.3 mt-10 -82.99 -40.6 19.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.512 ' HB3' ' CD1' ' A' ' 116' ' ' PHE . 27.3 mt -64.73 -38.65 91.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.727 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -41.69 -31.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -78.32 -37.57 44.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 111' ' ' LEU . 37.6 mt -72.41 -24.73 61.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.992 0.425 . . . . 0.0 110.839 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 116.98 62.13 0.32 Allowed Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.558 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.512 ' CD1' ' HB3' ' A' ' 111' ' ' LEU . 51.5 m-85 -131.3 172.23 12.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.976 0.417 . . . . 0.0 110.812 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.0 tttt -100.71 152.23 20.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.953 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -118.38 135.62 54.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.874 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -99.95 122.98 43.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.902 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.86 -67.39 2.24 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.41 124.05 44.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.969 0.414 . . . . 0.0 110.77 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.475 ' CE1' ' O ' ' A' ' 43' ' ' LEU . 87.0 t80 -98.35 146.11 26.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 97.7 t -141.2 113.62 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.213 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.78 102.54 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.188 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 26.1 p-80 -136.24 165.0 26.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.969 0.414 . . . . 0.0 110.748 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.495 HD11 ' N ' ' A' ' 126' ' ' ILE . 1.7 mp -136.16 107.35 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.096 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 94.1 m -62.76 109.53 1.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.291 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 60.4 mt -72.37 -49.69 32.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -171.88 -179.23 42.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.528 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -122.48 146.55 47.28 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.884 0.373 . . . . 0.0 110.767 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 93.4 t -96.55 114.57 33.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.073 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.93 -50.02 6.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.79 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.555 ' O ' ' CD1' ' A' ' 133' ' ' PHE . 24.2 p90 -160.98 125.46 3.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.066 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.3 p -124.62 150.46 29.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.139 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -106.21 -49.85 3.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.033 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -88.3 93.75 9.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.732 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 138' ' ' LEU . 30.6 ttpt -61.95 -56.54 18.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.756 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 137' ' ' LYS . 30.1 mt -34.26 -49.55 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.761 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -44.83 -56.16 5.94 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.729 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 43.5 mt -41.7 -61.19 1.14 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.764 0.316 . . . . 0.0 111.001 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -61.91 -59.49 5.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.04 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 141' ' ' ALA . 8.4 mmt -37.94 -36.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.791 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 146' ' ' GLU . 24.5 mtmt -83.23 -56.66 3.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 143' ' ' LYS . 55.4 mt -37.29 -46.55 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.874 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -60.77 -39.93 90.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 143' ' ' LYS . 20.4 mm-40 -72.2 -44.03 63.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.752 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 3.8 mp -84.93 10.04 12.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.943 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.38 -38.29 30.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -109.79 -20.0 12.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -47.54 112.16 0.51 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -74.19 150.28 40.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.676 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -112.65 -22.17 10.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.029 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 123.47 -166.86 15.82 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.539 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.8 p -134.62 179.3 6.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.024 0.44 . . . . 0.0 110.746 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -174.85 157.04 2.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 8.1 mt -108.76 127.87 64.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.262 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 27.5 t -74.96 97.09 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.055 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -97.07 -70.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -98.56 168.35 10.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.074 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . 0.443 ' CG2' ' N ' ' A' ' 161' ' ' GLU . 91.6 mt -124.19 156.76 31.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.18 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.443 ' N ' ' CG2' ' A' ' 160' ' ' ILE . 6.5 tt0 -135.72 137.39 41.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.746 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 15.5 tp -124.18 126.16 45.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.801 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -127.27 170.2 12.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.956 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.79 157.25 27.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.776 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 40.7 t -134.29 119.42 18.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.666 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 92.4 m -134.81 99.41 4.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.086 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 71.5 mt -70.84 123.51 22.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.983 0.42 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 43.3 p -123.58 155.77 65.48 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.609 0.718 . . . . 0.0 111.317 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -47.82 -32.99 18.37 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.835 2.357 . . . . 0.0 112.442 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -80.55 -26.53 37.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.718 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 153.58 170.38 19.62 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.57 127.42 14.72 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.7 2.266 . . . . 0.0 112.377 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 38.1 mm -100.03 127.17 53.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.845 0.355 . . . . 0.0 111.087 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -125.63 119.69 28.74 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.069 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -143.73 144.14 31.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.837 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.18 140.89 40.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.208 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 17.7 mt -106.16 -38.39 6.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -162.04 137.79 7.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.055 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -128.12 112.47 14.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -91.05 97.83 11.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.052 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -100.14 131.76 45.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.793 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 26.5 mt -85.48 -55.42 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 10.8 t -45.61 150.45 0.5 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.019 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -129.11 160.88 31.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.645 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 66.48 29.55 9.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -55.16 122.32 10.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -72.53 144.12 48.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -174.37 150.73 1.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -98.78 -46.53 5.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.932 0.396 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.833 -179.893 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.628 0.251 . . . . 0.0 110.773 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -94.67 80.12 3.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.476 ' CB ' HD13 ' A' ' 49' ' ' ILE . . . -88.01 154.03 20.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -167.52 142.18 3.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.734 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.436 ' CD1' HD13 ' A' ' 107' ' ' ILE . 44.3 pt -85.56 140.57 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.028 0.442 . . . . 0.0 111.242 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -135.89 154.12 51.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 88.1 mt -104.17 114.82 44.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.245 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -37.94 140.6 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.792 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.6 m -123.57 91.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.038 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.0 t -44.53 169.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.936 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -50.36 -35.89 30.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.3 p -40.4 -37.74 0.72 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.027 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.3 t -97.7 -56.87 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -41.93 -62.08 0.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.742 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.89 -40.7 66.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.99 -64.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.144 0.497 . . . . 0.0 111.256 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.9 mt -49.79 -46.05 50.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.1 t -58.52 -41.87 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.239 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -51.51 -41.82 61.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.01 -49.85 64.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.059 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.542 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 50.1 mt-30 -47.33 -62.16 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.993 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' GLN . 31.1 t70 -36.64 -42.29 0.35 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.989 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -74.64 -41.25 60.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 21' ' ' GLN . 96.2 mt -55.14 -51.54 53.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.87 162.41 1.42 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.245 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 76.0 p -131.85 42.86 3.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.979 0.418 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.7 tttt -88.7 -56.64 3.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.0 mp0 -77.41 -51.66 10.42 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.7 143.21 30.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.205 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -94.55 91.76 6.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.717 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.1 mt -115.75 111.14 34.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.128 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.72 89.47 3.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.542 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 14.2 m-85 -57.53 -179.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.706 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.412 ' O ' ' C ' ' A' ' 35' ' ' GLU . 84.8 t -120.73 144.77 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.066 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.455 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 48.4 mt-10 -37.42 156.26 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.805 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.504 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 14.0 mtt85 -66.29 -45.33 80.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -85.47 24.08 1.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.959 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.455 ' ND2' ' HB2' ' A' ' 35' ' ' GLU . 2.8 m-80 -121.86 9.12 9.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.504 ' CE2' ' HA ' ' A' ' 36' ' ' ARG . 30.2 m-85 -86.6 6.94 28.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.563 ' CE1' ' HD2' ' A' ' 163' ' ' LYS . 5.4 p-80 -49.24 135.6 16.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.714 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.0 mt -75.29 115.89 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.218 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 45.9 m -66.22 95.29 0.29 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.202 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.55 ' O ' ' CZ ' ' A' ' 122' ' ' PHE . 5.2 tt -56.05 -50.58 70.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.014 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.476 ' CD ' HD23 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -155.1 119.03 4.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.835 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -71.83 136.92 47.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.82 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.476 HD23 ' CD ' ' A' ' 44' ' ' LYS . 12.2 mt -103.4 -65.2 1.02 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.838 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.87 -127.56 8.01 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.367 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.426 ' C ' HG13 ' A' ' 49' ' ' ILE . 3.1 tp10 -77.94 128.1 33.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.94 0.4 . . . . 0.0 110.764 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.476 HD13 ' CB ' ' A' ' 3' ' ' ALA . 13.3 mt -148.43 146.71 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.046 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.419 ' N ' HG23 ' A' ' 49' ' ' ILE . 46.3 p -94.99 145.86 24.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -43.55 -33.25 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.049 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -69.87 -71.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -40.43 -35.27 0.42 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.055 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -41.58 -54.3 3.25 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.057 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -48.74 -36.44 16.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 110.823 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 57' ' ' ILE . 4.6 tp10 -58.7 -63.06 1.43 Allowed 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.946 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.409 ' H ' ' CD1' ' A' ' 57' ' ' ILE . 4.0 mp -36.6 -59.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.9 mttt -43.5 -58.78 2.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -47.67 -42.4 24.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.992 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.76 -54.01 41.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.276 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 53.8 mt -53.51 -41.85 66.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.112 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -51.86 -41.68 62.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -77.74 -48.61 16.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.871 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.464 HD13 ' CG1' ' A' ' 107' ' ' ILE . 8.0 mt -57.23 -62.19 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.03 0.443 . . . . 0.0 111.063 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.69 -15.2 0.43 Allowed 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -90.32 -51.06 5.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.042 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.464 ' CE ' ' HG3' ' A' ' 106' ' ' GLU . 6.9 pttp -68.15 -9.5 47.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.523 ' CG ' HG12 ' A' ' 103' ' ' ILE . 41.4 m-85 -110.37 155.1 22.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.027 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -99.06 178.76 4.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.058 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.469 ' CE ' ' HG2' ' A' ' 158' ' ' GLU . 6.6 ptmt -112.54 106.5 14.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.862 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.456 ' CG ' ' H ' ' A' ' 72' ' ' GLU . 63.4 t60 -99.42 173.7 6.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.019 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.456 ' H ' ' CG ' ' A' ' 71' ' ' HIS . 0.4 OUTLIER -112.31 132.28 55.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.8 m -130.6 169.48 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.989 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.432 ' HB2' ' CD ' ' A' ' 95' ' ' GLU . 2.7 m120 -113.13 154.98 25.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.0 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.7 p -125.85 125.01 67.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.234 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.507 ' NE ' ' O ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -174.35 175.16 2.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.799 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.95 136.77 0.14 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.479 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 68.3 mt -133.35 133.94 57.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.332 . . . . 0.0 111.191 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.61 172.85 16.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.563 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.6 m -140.06 156.16 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.778 0.323 . . . . 0.0 111.261 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.55 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 10.6 m-85 -138.36 152.34 71.17 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.568 0.699 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.4 Cg_endo -69.36 -28.57 6.04 Favored 'Cis proline' 0 CA--C 1.523 -0.04 0 C-N-CA 122.802 -1.749 . . . . 0.0 112.372 -0.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -158.37 161.19 29.03 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 121.664 0.745 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -47.77 -60.1 1.0 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.741 2.294 . . . . 0.0 112.304 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -39.89 -40.08 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.782 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -130.8 89.01 2.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.067 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 86.7 t -83.66 129.67 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.6 mmm-85 -125.25 -40.42 2.13 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 67.2 t -127.77 126.02 66.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.093 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 70.1 mt -93.68 130.53 42.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.55 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 60.0 p-90 -146.04 146.06 30.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.979 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -94.81 167.03 11.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.254 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -129.18 155.1 20.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.588 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 89.6 t -117.54 146.12 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.909 0.385 . . . . 0.0 111.182 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.516 ' O ' ' C ' ' A' ' 96' ' ' ASN . 3.2 pt-20 -72.28 -175.6 1.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.077 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.516 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.6 OUTLIER -27.94 108.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -122.41 52.07 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 101' ' ' LYS . 43.5 mt-10 -51.98 -70.42 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.415 HG13 ' CB ' ' A' ' 71' ' ' HIS . 21.4 mm -36.92 -54.89 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.826 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.1 mt -58.31 -38.94 72.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.934 0.397 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 98' ' ' GLU . 47.0 mtpt -67.04 -57.85 6.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.014 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.4 ' CD ' ' HA ' ' A' ' 99' ' ' ILE . 14.1 ptpt -52.17 -43.18 63.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.678 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.523 HG12 ' CG ' ' A' ' 68' ' ' TYR . 96.0 mt -67.15 -43.46 88.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.44 -38.93 66.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.0 tttt -67.09 -38.57 85.92 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.827 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.464 ' HG3' ' CE ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -67.37 -43.5 81.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.067 0.461 . . . . 0.0 110.983 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.464 ' CG1' HD13 ' A' ' 64' ' ' ILE . 32.3 mt -61.43 -42.49 94.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.172 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -76.06 -30.82 58.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.134 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.8 -51.53 68.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.642 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -64.13 -52.96 56.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.527 ' HB3' ' CG ' ' A' ' 116' ' ' PHE . 24.6 mt -51.03 -36.58 40.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.713 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.7 -35.42 0.48 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.194 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -47.59 48.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.754 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 27.9 mt -61.84 -7.79 4.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 106.79 56.61 0.63 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.546 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.527 ' CG ' ' HB3' ' A' ' 111' ' ' LEU . 11.6 m-85 -130.24 173.25 10.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.032 0.444 . . . . 0.0 110.913 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -126.69 137.76 53.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.961 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -109.64 141.8 41.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.987 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 120' ' ' GLY . 4.6 tp10 -99.25 122.79 42.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.075 0.464 . . . . 0.0 110.817 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 119' ' ' GLU . . . -37.81 -63.82 0.83 Allowed Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -99.59 129.18 45.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.889 0.376 . . . . 0.0 110.828 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.55 ' CZ ' ' O ' ' A' ' 43' ' ' LEU . 34.7 t80 -95.11 153.52 17.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.81 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 91.0 t -136.33 121.68 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.177 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.75 104.91 16.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.037 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -140.65 167.64 21.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.511 HD11 ' N ' ' A' ' 126' ' ' ILE . 4.4 mp -137.43 106.31 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.908 0.385 . . . . 0.0 111.052 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 93.2 m -63.53 109.4 1.63 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 65.3 mt -74.95 -37.14 62.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.12 0.486 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 172.41 170.19 35.94 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.504 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -110.09 147.46 33.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.701 0.286 . . . . 0.0 111.114 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.0 t -90.81 114.46 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.932 0.396 . . . . 0.0 111.19 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER -82.23 -55.83 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.899 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -163.9 135.55 4.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.4 p -132.38 152.85 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.278 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 34.6 tttp -107.92 -46.09 3.85 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.765 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -89.52 101.46 14.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.984 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 138' ' ' LEU . 3.1 mmmm -67.35 -57.71 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.775 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 137' ' ' LYS . 40.7 mt -37.86 -51.15 1.3 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.039 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -46.37 -41.38 11.91 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.632 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 76.8 mt -56.07 -59.14 5.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.995 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.2 -58.36 6.19 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.12 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.6 mmt -44.47 -33.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.752 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -78.51 -54.18 6.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.963 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 148' ' ' ALA . 40.6 mt -39.57 -57.72 1.42 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.828 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm -40.17 -41.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -68.34 -40.5 81.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.044 0.45 . . . . 0.0 110.798 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 144' ' ' LEU . 4.8 mp -108.83 30.94 6.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.959 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 144' ' ' LEU . . . -75.78 -49.83 16.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.094 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -133.07 25.69 4.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -56.47 132.21 50.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -76.74 130.4 37.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.009 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -102.57 -37.18 8.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 138.87 -164.54 25.77 Favored Glycine 0 CA--C 1.512 -0.13 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.524 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.2 p -132.02 174.19 10.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.841 0.353 . . . . 0.0 110.981 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -175.37 144.17 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.671 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.439 HG12 ' CB ' ' A' ' 72' ' ' GLU . 50.2 mt -99.03 126.39 52.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.964 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 53.4 t -71.93 92.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.139 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.469 ' HG2' ' CE ' ' A' ' 70' ' ' LYS . 3.6 mt-10 -93.91 -68.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.797 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -99.44 169.7 9.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.111 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 16.9 mt -140.49 154.2 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -146.98 135.96 22.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.007 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 12.5 tp -94.22 132.63 38.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.563 ' HD2' ' CE1' ' A' ' 40' ' ' HIS . 10.6 mttm -117.73 144.13 45.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -111.62 145.53 39.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.066 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 28.8 t -125.33 124.67 42.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.134 0.492 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 66.3 m -137.38 105.35 5.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.005 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.442 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 23.7 mt -71.19 131.61 43.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 47.1 p -134.39 155.8 79.46 Favored Pre-proline 0 C--O 1.235 0.329 0 CA-C-O 121.498 0.666 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_exo -47.95 -33.08 19.3 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.745 2.297 . . . . 0.0 112.452 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -80.26 -24.51 40.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 149.98 172.12 19.06 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.379 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . 0.442 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 55.2 Cg_endo -69.6 132.03 22.72 Favored 'Trans proline' 0 CA--C 1.529 0.232 0 C-N-CA 122.832 2.355 . . . . 0.0 112.264 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 48.9 mm -99.18 130.28 48.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.019 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . 0.441 ' CD2' ' OD1' ' A' ' 38' ' ' ASN . 5.5 m-85 -136.22 118.94 16.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -156.16 145.22 20.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 14.5 m -74.75 134.38 41.86 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 20.5 mt -98.52 -32.48 11.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 180' ' ' PHE . . . -141.24 128.51 21.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.026 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.26 105.03 11.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.973 0.416 . . . . 0.0 110.849 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 178' ' ' ALA . 11.0 m-85 -101.62 98.04 8.39 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.744 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . 0.405 ' OE1' ' C ' ' A' ' 181' ' ' GLU . 0.7 OUTLIER -100.2 135.73 41.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 25.5 mt -76.74 -65.93 0.88 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.905 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 3.0 t -170.82 177.1 3.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.704 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -103.13 136.5 42.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.006 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -133.84 -64.68 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -50.27 125.09 11.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -90.51 41.5 1.06 Allowed 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.682 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 56.72 37.13 28.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 40.76 43.46 1.67 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.774 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 3.7 t60 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.92 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.421 ' O ' ' O ' ' A' ' 47' ' ' GLY . 6.3 ptt? . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.802 0.334 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -87.07 71.34 10.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.404 ' CB ' HD13 ' A' ' 49' ' ' ILE . . . -69.74 140.57 53.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 4' ' ' PHE . 3.3 p90 -156.11 139.4 15.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.737 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.1 pt -93.33 144.07 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.09 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -141.25 161.37 38.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.426 HG21 ' N ' ' A' ' 8' ' ' ASP . 52.9 mt -104.71 138.68 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.067 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.426 ' N ' HG21 ' A' ' 7' ' ' ILE . 1.6 t70 -59.21 141.63 53.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.009 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.4 m -123.37 89.58 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.93 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.4 t -41.34 162.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.649 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -46.52 -44.31 17.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.0 p -39.75 -33.24 0.18 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.755 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.5 t -95.48 -55.05 6.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.0 mtt180 -42.45 -63.79 0.71 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.732 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -35.82 69.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.76 -52.54 65.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.1 mt -63.47 -48.57 77.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -57.21 -40.81 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.019 0.437 . . . . 0.0 111.232 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.8 ttm-85 -48.7 -45.37 39.08 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.34 -49.01 71.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.251 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.582 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 45.2 mt-30 -45.43 -58.4 3.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.18 -42.59 2.1 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -74.15 -43.26 58.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.3 mt -53.09 -50.85 43.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.917 0.389 . . . . 0.0 111.005 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.95 151.76 0.02 OUTLIER Glycine 0 C--O 1.228 -0.242 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.46 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 90.7 p -115.57 41.5 2.49 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.018 0.437 . . . . 0.0 110.96 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -83.4 -59.76 2.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -76.62 -48.42 19.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.89 151.27 21.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.038 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -105.36 84.77 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.807 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.425 HD11 ' CD1' ' A' ' 90' ' ' ILE . 38.1 mt -108.79 134.35 51.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.079 0.466 . . . . 0.0 111.027 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -97.13 90.95 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.946 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.582 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 16.5 m-85 -60.67 174.86 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.74 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.582 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 40.6 t -123.41 148.64 27.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.06 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -41.0 159.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.837 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -44.93 68.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.992 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.1 22.48 0.96 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.997 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -125.11 9.09 8.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.582 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 20.9 m-85 -93.24 4.59 53.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.013 0.435 . . . . 0.0 110.959 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -46.79 123.0 4.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 66.1 mt -50.97 115.18 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.237 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.1 m -70.05 81.84 0.5 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.992 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.425 ' C ' HD21 ' A' ' 43' ' ' LEU . 5.5 tt -39.51 -57.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.0 tttp -151.73 141.36 21.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -93.41 139.62 30.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.81 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.7 mt -110.32 -63.37 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.965 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 106.11 -130.07 10.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.457 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -71.47 132.5 44.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.877 0.37 . . . . 0.0 110.769 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.409 HG23 ' N ' ' A' ' 50' ' ' THR . 35.5 mt -149.19 145.0 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.25 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' GLU . 19.1 p -88.03 135.99 33.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.131 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -39.53 -27.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.98 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' THR . 18.3 mt-10 -76.06 -62.16 1.69 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.41 -33.09 52.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.157 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -40.15 -39.66 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' A' ' 56' ' ' GLU . 7.7 pt-20 -71.08 -43.27 68.08 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 55' ' ' GLU . 0.7 OUTLIER -48.36 -38.09 18.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.94 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.453 HD11 ' N ' ' A' ' 57' ' ' ILE . 1.8 mp -61.84 -40.61 87.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.186 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.456 ' CE ' ' HB2' ' A' ' 178' ' ' ALA . 4.6 mptt -61.41 -66.63 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.116 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 58' ' ' LYS . 58.6 mmtt -34.86 -51.34 0.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.038 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 90.3 mt -53.91 -51.99 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.44 -35.87 80.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.971 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 66' ' ' LYS . 5.9 tp10 -49.66 -31.08 10.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.126 0.488 . . . . 0.0 111.009 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -94.36 -46.89 6.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.699 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.3 mt -50.76 -48.94 27.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.158 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.73 -10.19 5.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -101.29 -52.63 3.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.822 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -9.41 13.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -116.49 156.54 26.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.998 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -107.03 -177.47 3.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -115.1 106.25 13.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.612 ' CE1' ' CG1' ' A' ' 73' ' ' VAL . 0.6 OUTLIER -93.34 157.55 16.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.809 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -94.44 102.87 14.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.073 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.612 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 35.3 m -105.0 172.1 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.998 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -121.17 160.77 23.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.0 p -124.08 109.64 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.172 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.5 ttp85 -157.8 143.56 17.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.81 145.84 15.37 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.533 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 43.2 mt -142.16 133.16 25.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-O 120.826 0.346 . . . . 0.0 111.098 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.439 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -113.98 166.38 12.14 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.56 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.3 m -134.56 166.79 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.109 0.481 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.544 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 13.4 m-85 -150.62 152.62 32.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.678 0.752 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.6 Cg_endo -69.7 -20.36 10.73 Favored 'Cis proline' 0 C--N 1.343 0.242 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.538 -0.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -166.41 161.62 12.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.555 0.693 . . . . 0.0 110.914 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -48.09 -62.72 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.213 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -38.49 -39.23 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -132.68 93.03 3.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.992 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.4 t -86.54 130.59 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.261 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -124.1 -36.49 2.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.012 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 89.2 t -133.62 123.02 44.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.045 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.425 ' CD1' HD11 ' A' ' 31' ' ' ILE . 63.9 mt -91.2 129.98 41.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.544 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 40.0 p-90 -145.01 143.96 30.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.885 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -94.38 167.48 11.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.44 155.72 18.3 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.623 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 95' ' ' GLU . 87.8 t -111.0 145.03 17.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.746 0.307 . . . . 0.0 111.017 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.512 ' O ' ' C ' ' A' ' 96' ' ' ASN . 35.8 mt-10 -70.98 -176.57 1.4 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.801 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.512 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.0 OUTLIER -27.3 101.06 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.981 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -118.1 51.98 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.691 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -52.28 -70.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.714 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.422 ' HB ' ' CE1' ' A' ' 71' ' ' HIS . 43.8 mm -40.15 -61.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.178 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.9 mt -42.55 -40.62 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -63.65 -44.97 92.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.971 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -58.99 -57.39 13.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 81.2 mt -54.93 -37.47 41.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.47 -39.61 88.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.991 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -76.02 -34.22 59.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -69.93 -41.48 74.54 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.777 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 64.0 mt -60.46 -38.2 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 109' ' ' ASP . 21.9 t0 -79.22 -51.42 9.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.691 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 108' ' ' ASP . 1.9 t70 -34.17 -39.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.099 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -79.68 -52.98 7.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 114' ' ' LEU . 49.8 mt -49.4 -45.97 46.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.839 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 111' ' ' LEU . . . -34.55 -35.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.981 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 111' ' ' LEU . 0.3 OUTLIER -74.02 -46.08 45.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.836 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 111' ' ' LEU . 42.7 mt -63.25 -25.86 68.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.061 0.457 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 122.01 62.97 0.22 Allowed Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.435 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.449 ' CG ' ' HB3' ' A' ' 111' ' ' LEU . 37.2 m-85 -136.19 151.97 50.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.759 0.314 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 118' ' ' LYS . 20.3 tptt -87.89 146.98 25.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.799 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 117' ' ' LYS . 9.7 ttmt -115.07 138.79 50.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.04 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -99.88 123.38 44.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -43.19 -66.66 1.13 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -99.96 146.37 26.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.875 0.369 . . . . 0.0 111.008 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -99.94 149.49 23.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.68 121.07 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.176 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.19 105.81 17.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -141.02 165.12 28.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.925 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.528 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.1 mp -136.81 108.72 6.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.055 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 85.2 m -62.85 115.9 4.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.953 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 40.8 mt -79.67 -36.45 37.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.012 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -179.48 -174.49 45.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.472 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -121.53 137.11 54.87 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.799 0.333 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.5 t -89.28 110.82 22.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.271 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.81 -56.69 3.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.811 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -155.07 135.06 12.95 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.6 p -139.75 147.93 23.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.283 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -107.35 -51.03 2.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -66.49 88.28 0.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.821 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -58.67 -62.05 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 63.6 mt -42.14 -43.58 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -47.51 -46.12 23.16 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.658 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 42.8 mt -45.98 -56.27 5.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.996 0.426 . . . . 0.0 111.078 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -73.52 -61.24 1.9 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.223 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 141' ' ' ALA . 13.6 mmt -37.12 -43.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.795 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -71.4 -58.28 3.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 37.0 mt -37.57 -59.76 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.004 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp -42.88 -53.33 4.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -56.2 -43.91 78.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.791 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.9 mp -95.05 33.27 1.54 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.747 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -98.88 -35.05 10.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.145 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 150' ' ' GLU . 2.3 m120 -112.18 -26.28 8.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 149' ' ' ASN . 8.5 tm-20 -35.94 106.47 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.81 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -67.04 146.93 53.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.72 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -109.01 -36.61 6.03 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 140.19 -167.44 25.45 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 36.3 p -137.61 168.1 20.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.822 0.344 . . . . 0.0 110.986 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -171.94 160.67 5.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.804 0.335 . . . . 0.0 111.049 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 66.9 mt -110.65 125.07 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-O 120.986 0.422 . . . . 0.0 111.207 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 53.2 t -76.77 97.93 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.246 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.408 ' C ' HD11 ' A' ' 182' ' ' LEU . 19.6 mt-10 -100.18 -63.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -93.81 165.98 12.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 161' ' ' GLU . 34.7 mt -126.43 142.46 42.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.28 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.468 ' N ' HG22 ' A' ' 160' ' ' ILE . 8.3 mp0 -122.28 153.64 38.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.078 0.466 . . . . 0.0 110.704 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . 0.436 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 13.2 tp -143.38 134.3 25.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.957 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -140.06 156.51 46.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.047 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.482 ' HE3' ' CG ' ' A' ' 175' ' ' GLU . 3.3 pttp -113.58 143.08 45.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 5.9 m -120.72 120.13 34.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.163 0.506 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 97.8 m -135.27 102.42 5.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.07 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.405 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 11.6 mt -68.35 134.69 50.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 46.4 p -137.76 155.29 75.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.556 0.693 . . . . 0.0 111.521 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -47.99 -31.56 16.15 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.302 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -80.08 -33.43 38.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 158.06 171.66 24.26 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.454 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . 0.405 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 53.9 Cg_endo -69.64 128.24 15.85 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.551 2.168 . . . . 0.0 112.316 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 46.5 mm -98.28 119.43 46.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.978 0.418 . . . . 0.0 111.129 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -128.79 113.27 15.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.482 ' CG ' ' HE3' ' A' ' 164' ' ' LYS . 4.1 pt-20 -144.67 148.99 34.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 3.5 m -76.6 144.72 39.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.184 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . 0.414 ' CD1' ' HB3' ' A' ' 164' ' ' LYS . 61.8 mt -112.2 -35.51 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.456 ' HB2' ' CE ' ' A' ' 58' ' ' LYS . . . -147.31 133.29 19.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -135.96 109.45 7.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -111.95 97.86 6.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -100.23 125.83 46.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.408 HD11 ' C ' ' A' ' 158' ' ' GLU . 10.2 mt -79.95 -63.07 1.5 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 96.9 p -131.63 154.87 48.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.024 0.44 . . . . 0.0 110.644 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 29.1 mp0 -50.73 -63.98 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.829 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -166.43 160.84 15.91 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.653 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -111.3 168.64 9.37 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -117.21 167.35 11.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.994 0.426 . . . . 0.0 110.883 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -174.83 150.87 1.32 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.725 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 52.7 t60 71.5 42.1 0.69 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 27.4 m170 . . . . . 0 C--O 1.234 0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.812 -179.947 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 ptt? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.948 0.404 . . . . 0.0 110.719 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -91.64 70.01 5.76 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.426 ' HB1' ' CD1' ' A' ' 49' ' ' ILE . . . -67.34 152.75 45.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.082 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -168.73 140.84 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.447 HG21 ' CD1' ' A' ' 162' ' ' LEU . 30.9 pt -91.06 147.79 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.164 0.507 . . . . 0.0 111.049 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.31 169.04 19.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.041 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.0 mt -113.62 120.01 62.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.202 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -49.31 126.67 13.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 m -105.36 91.06 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.0 t -41.48 163.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' SER . 34.4 mm-40 -47.97 -44.94 30.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' GLU . 78.1 p -36.93 -46.94 0.67 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 16' ' ' ALA . 84.4 t -83.11 -57.0 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -38.67 -63.87 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.25 -27.51 55.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.859 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' VAL . . . -63.18 -55.9 21.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.459 ' HA ' ' CE1' ' A' ' 152' ' ' PHE . 72.0 mt -63.62 -47.92 79.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.725 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.517 ' CG2' ' HD3' ' A' ' 36' ' ' ARG . 87.0 t -55.71 -36.88 44.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.999 0.428 . . . . 0.0 111.186 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.5 ttm-85 -52.95 -46.0 67.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.804 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.05 -46.17 82.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.68 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 49.1 mt-30 -46.46 -58.02 4.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -42.03 -38.99 1.79 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.752 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -74.32 -31.09 62.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 21' ' ' GLN . 67.4 mt -70.4 -60.83 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.47 156.95 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.343 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.4 p -112.02 55.34 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.99 0.424 . . . . 0.0 111.032 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -84.65 -50.7 7.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.496 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 2.0 pm0 -99.35 -40.99 7.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.496 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -100.91 152.92 19.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.094 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -105.78 105.64 15.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.726 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.6 mt -133.14 130.24 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.173 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -99.62 100.66 11.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.68 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 20.8 m-85 -67.26 175.04 2.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.785 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.543 ' HB ' ' CE1' ' A' ' 39' ' ' PHE . 49.1 t -113.98 148.75 16.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.078 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -46.06 170.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.833 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.517 ' HD3' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -77.22 -41.8 39.87 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.935 -179.873 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -85.31 25.68 0.98 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.412 ' OD1' ' CD2' ' A' ' 174' ' ' TYR . 3.1 m-80 -131.96 12.13 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.792 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.543 ' CE1' ' HB ' ' A' ' 34' ' ' VAL . 17.3 m-85 -97.62 6.43 48.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.996 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.418 ' CE1' ' HD2' ' A' ' 163' ' ' LYS . 2.4 p-80 -53.42 124.47 14.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 62.1 mt -55.47 118.15 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.216 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.5 m -71.45 87.21 0.87 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.181 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.427 ' C ' HD23 ' A' ' 43' ' ' LEU . 5.4 tt -47.41 -54.19 11.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.508 ' CD ' HD22 ' A' ' 46' ' ' LEU . 1.3 tmtp? -152.81 121.32 6.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -77.97 131.61 37.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.508 HD22 ' CD ' ' A' ' 44' ' ' LYS . 12.7 mt -99.99 -65.78 0.94 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.765 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.87 -129.67 9.92 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.607 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.25 125.14 23.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.9 0.381 . . . . 0.0 110.979 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 50' ' ' THR . 38.4 mt -147.84 153.0 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.443 ' N ' HG22 ' A' ' 49' ' ' ILE . 61.8 p -102.2 146.33 28.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -48.78 -20.21 0.45 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -85.98 -69.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -42.88 -29.5 0.33 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.08 -52.0 22.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.16 -26.31 66.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 0.8 OUTLIER -64.53 -42.78 95.55 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.785 -179.813 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.436 HG13 ' CD2' ' A' ' 111' ' ' LEU . 2.5 mp -62.94 -45.21 99.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.265 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.43 ' CE ' ' HB1' ' A' ' 178' ' ' ALA . 50.9 mttp -44.99 -64.46 0.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.03 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 56' ' ' GLU . 14.9 ptmt -49.34 -44.74 44.84 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.899 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 82.1 mt -55.36 -45.21 77.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 62' ' ' GLU . 41.9 mt -70.87 -56.58 5.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.791 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 61' ' ' LEU . 23.5 tp10 -36.3 -36.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.802 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -83.98 -51.49 7.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.839 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 80.1 mt -53.79 -57.23 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.361 . . . . 0.0 111.187 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.75 -9.06 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.122 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -97.65 -35.24 10.65 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.482 ' HG3' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -78.39 -17.6 56.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.981 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.499 ' CG ' HG12 ' A' ' 103' ' ' ILE . 50.4 m-85 -103.29 158.22 16.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -99.99 -178.74 3.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.034 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.463 ' HB2' ' CG2' ' A' ' 156' ' ' ILE . 0.0 OUTLIER -117.56 109.25 16.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.069 0.461 . . . . 0.0 111.052 179.691 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -98.34 137.53 36.92 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.771 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -74.3 99.92 3.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.815 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.9 m -99.13 175.59 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 75' ' ' VAL . 6.6 t-20 -127.8 163.32 24.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.055 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.479 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 1.5 p -126.93 116.0 43.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.317 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -158.41 149.56 20.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.862 -179.811 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.464 ' N ' ' HD3' ' A' ' 76' ' ' ARG . . . 92.2 144.4 13.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.308 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 79' ' ' GLY . 96.5 mt -140.02 141.69 33.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.794 0.33 . . . . 0.0 111.16 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.425 ' N ' HG23 ' A' ' 78' ' ' ILE . . . -119.3 174.47 15.42 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.465 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.6 m -139.27 161.58 28.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.849 0.357 . . . . 0.0 111.049 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.705 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 12.0 m-85 -143.13 154.16 60.98 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 121.667 0.746 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.4 Cg_endo -69.61 -20.38 10.62 Favored 'Cis proline' 0 C--N 1.343 0.279 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.315 -0.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -165.52 160.42 13.86 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.538 0.685 . . . . 0.0 110.964 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -47.8 -57.16 2.49 Favored 'Trans proline' 0 CA--C 1.526 0.09 0 C-N-CA 122.76 2.307 . . . . 0.0 112.395 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -41.34 -40.68 1.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.744 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -131.97 96.58 3.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.057 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.0 t -86.83 130.49 36.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -127.52 -35.26 2.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 94.2 t -135.39 122.13 34.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.067 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 64.3 mt -91.46 136.02 25.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.258 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.705 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 29.7 p-90 -150.89 141.13 22.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.038 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.74 166.84 12.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.014 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -126.35 159.49 20.67 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.382 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.4 HG13 ' N ' ' A' ' 95' ' ' GLU . 90.4 t -109.8 147.47 14.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.869 0.366 . . . . 0.0 111.166 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.509 ' O ' ' C ' ' A' ' 96' ' ' ASN . 5.0 mm-40 -70.87 -176.53 1.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.509 ' C ' ' O ' ' A' ' 95' ' ' GLU . 2.0 t30 -28.88 103.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.774 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -126.96 50.63 1.95 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.65 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -59.37 -50.03 75.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 42.7 mm -53.82 -40.44 43.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.204 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 55.3 mt -73.09 -15.05 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.136 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -85.87 -52.24 5.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.997 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -60.61 -35.19 75.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.022 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.499 HG12 ' CG ' ' A' ' 68' ' ' TYR . 86.4 mt -65.77 -49.24 78.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.047 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.426 ' CB ' ' CE2' ' A' ' 122' ' ' PHE . . . -55.62 -41.0 72.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.19 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -58.98 -35.56 73.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.776 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -72.86 -40.78 65.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 72.9 mt -66.18 -33.65 64.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.101 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.4 ' CG ' ' NZ ' ' A' ' 44' ' ' LYS . 20.2 t0 -82.13 -41.72 20.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.957 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -55.3 -27.93 50.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.718 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -85.14 -45.23 12.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 110.743 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 116' ' ' PHE . 65.9 mt -62.96 -35.0 78.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -41.37 -34.26 0.5 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.036 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -73.74 -41.92 61.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 111' ' ' LEU . 78.7 mt -63.18 -25.87 68.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 119.36 55.6 0.26 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.694 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 111' ' ' LEU . 78.4 m-85 -128.76 166.22 19.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.931 0.396 . . . . 0.0 110.905 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -85.45 150.54 24.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.811 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.76 115.23 24.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.817 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -88.89 116.3 27.07 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.47 -59.83 9.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.556 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -91.96 127.82 37.57 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.803 0.335 . . . . 0.0 110.822 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.426 ' CE2' ' CB ' ' A' ' 104' ' ' ALA . 11.2 t80 -98.95 142.76 30.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.026 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 84.4 t -143.33 131.89 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.66 110.6 23.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -144.66 161.12 39.96 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.829 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.544 ' N ' HD13 ' A' ' 126' ' ' ILE . 3.7 mp -134.55 100.21 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.052 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 86.6 m -54.29 118.91 4.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.939 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 53.1 mt -80.8 -42.05 22.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 179.88 -171.4 42.9 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.545 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 130' ' ' ARG . 2.8 mpt_? -125.51 152.65 44.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.794 0.33 . . . . 0.0 110.975 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 88.7 t -101.51 121.66 52.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.291 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -92.53 -49.44 6.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 133' ' ' PHE . 4.7 p90 -163.06 139.38 7.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.696 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.4 p -139.23 148.74 23.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.983 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -104.14 -48.35 3.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.83 108.01 8.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -71.68 -65.59 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 32.3 mt -40.54 -44.83 2.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -45.31 -48.86 10.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.365 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 47.6 mt -45.97 -63.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.695 0.284 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -64.09 -62.92 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.241 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 141' ' ' ALA . 14.3 mmt -36.53 -45.31 0.49 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 146' ' ' GLU . 2.9 ttmm -68.23 -57.05 6.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.833 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 33.9 mt -37.87 -48.36 1.13 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.923 0.392 . . . . 0.0 110.986 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.46 ' HE3' ' N ' ' A' ' 145' ' ' LYS . 0.2 OUTLIER -56.41 -41.06 75.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.792 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 143' ' ' LYS . 7.8 mm-40 -63.68 -33.97 76.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.839 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 5.9 mp -112.03 38.55 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.013 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -98.72 -30.09 12.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.312 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 150' ' ' GLU . 2.3 m-80 -125.66 -13.27 6.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.675 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 149' ' ' ASN . 2.2 tt0 -37.55 131.05 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.944 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -84.17 144.93 28.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . 0.459 ' CE1' ' HA ' ' A' ' 17' ' ' LEU . 37.6 m-85 -113.95 -33.87 5.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 133.91 -165.89 24.14 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.597 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 25.0 p -141.86 165.52 27.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.67 0.271 . . . . 0.0 110.954 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -168.25 173.47 7.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 70' ' ' LYS . 56.3 mt -117.44 134.02 62.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 22.3 t -90.44 95.89 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.124 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -97.93 -70.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.81 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -89.31 171.2 9.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.184 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . 0.413 HG21 ' N ' ' A' ' 161' ' ' GLU . 78.5 mt -132.42 141.78 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.413 ' N ' HG21 ' A' ' 160' ' ' ILE . 41.4 tt0 -122.03 117.59 26.72 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.82 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . 0.447 ' CD1' HG21 ' A' ' 5' ' ' ILE . 14.9 tp -96.24 122.64 39.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.791 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.418 ' HD2' ' CE1' ' A' ' 40' ' ' HIS . 61.6 mttt -124.77 151.87 44.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.797 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.421 ' HB3' ' CD1' ' A' ' 177' ' ' LEU . 12.6 pttt -118.37 154.63 32.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.932 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 8.7 t -126.8 134.78 50.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 62.6 m -138.9 105.57 5.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.115 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.416 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 23.0 mt -72.61 130.92 41.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 81.2 p -133.39 156.35 79.84 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-O 121.509 0.671 . . . . 0.0 111.188 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -48.26 -32.02 18.5 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.719 2.279 . . . . 0.0 112.287 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.31 -27.48 38.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.82 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 152.73 173.04 21.74 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . 0.416 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 53.0 Cg_endo -69.75 126.8 13.75 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.493 2.129 . . . . 0.0 112.386 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 7.7 mm -99.49 138.79 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.018 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . 0.412 ' CD2' ' OD1' ' A' ' 38' ' ' ASN . 5.6 m-85 -138.36 131.7 30.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.808 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -160.75 147.83 15.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.058 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 24.5 m -73.28 149.62 42.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.218 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . 0.421 ' CD1' ' HB3' ' A' ' 164' ' ' LYS . 49.1 mt -107.45 -32.87 7.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.0 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.43 ' HB1' ' CE ' ' A' ' 58' ' ' LYS . . . -174.36 129.61 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.122 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.64 112.94 24.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.981 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -96.26 97.57 9.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.763 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -100.18 153.83 18.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 64.6 mt -104.12 -62.06 1.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 92.5 p -138.86 178.93 6.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.794 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -97.41 89.24 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -118.54 -58.24 1.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -81.79 100.78 9.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -91.93 98.49 11.61 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.69 143.23 30.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.941 0.4 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -53.36 102.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.833 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.005 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 47' ' ' GLY . 3.0 tpt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.622 0.248 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.434 ' CB ' ' O ' ' A' ' 165' ' ' SER . 11.6 ttp180 -72.56 66.25 0.7 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.761 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.463 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -63.97 155.0 32.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.136 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 4' ' ' PHE . 17.8 p90 -175.03 128.56 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.851 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.813 HD11 ' HB3' ' A' ' 44' ' ' LYS . 16.6 pt -87.36 132.25 33.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -130.8 170.89 13.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.862 HG21 HG22 ' A' ' 157' ' ' VAL . 41.5 mt -110.51 122.04 64.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.025 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -50.0 133.5 22.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.886 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 9' ' ' VAL . 25.0 m -111.72 87.38 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 t -39.01 153.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 12' ' ' SER . 26.3 mt-10 -37.71 -50.1 1.18 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 11' ' ' GLU . 88.9 p -34.3 -44.99 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.79 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.487 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 90.4 t -89.36 -62.84 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.119 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.511 ' O ' HG23 ' A' ' 18' ' ' VAL . 16.5 ttm180 -34.86 -58.82 0.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -38.18 83.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.774 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -50.14 -67.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.8 mt -45.42 -41.58 9.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.995 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 14' ' ' ARG . 64.4 t -59.31 -43.7 90.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.043 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.2 ttm-85 -53.26 -41.67 65.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.25 -46.77 69.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.525 ' OE1' ' CD1' ' A' ' 33' ' ' PHE . 22.8 mt-30 -55.69 -50.37 70.46 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -49.8 -42.41 46.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.786 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -67.89 -33.46 74.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.7 mt -71.91 -68.83 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.21 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.8 164.46 3.43 Favored Glycine 0 C--O 1.229 -0.167 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.32 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.2 p -109.9 43.49 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 110.758 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -64.35 -62.69 1.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -96.46 -47.01 6.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.82 142.96 27.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.967 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -96.29 104.57 16.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.607 HG12 HG22 ' A' ' 131' ' ' VAL . 11.8 mt -129.62 118.75 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.041 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -88.07 87.34 7.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.98 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.525 ' CD1' ' OE1' ' A' ' 21' ' ' GLN . 17.2 m-85 -59.24 164.1 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.514 HG12 ' N ' ' A' ' 35' ' ' GLU . 57.5 t -100.28 158.78 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.201 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.514 ' N ' HG12 ' A' ' 34' ' ' VAL . 8.6 mm-40 -50.4 159.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.082 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -69.73 -45.54 67.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -83.56 23.37 0.96 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -126.36 9.36 7.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -86.34 9.26 18.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.965 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.486 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 6.2 p-80 -54.54 133.1 46.1 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.967 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.8 mt -69.72 120.37 17.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.35 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 84.0 m -71.95 105.55 3.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.451 ' O ' HD23 ' A' ' 43' ' ' LEU . 4.5 tt -74.33 -53.1 10.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.987 0.422 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.813 ' HB3' HD11 ' A' ' 5' ' ' ILE . 21.6 tptt -144.87 121.19 10.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -84.07 129.57 34.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.818 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.529 ' HB3' HD11 ' A' ' 49' ' ' ILE . 14.8 mt -108.04 -48.86 3.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.799 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 83.97 -137.35 15.93 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.35 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.426 ' CD ' ' N ' ' A' ' 49' ' ' ILE . 3.4 tm-20 -65.29 140.49 58.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.077 0.465 . . . . 0.0 110.814 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.529 HD11 ' HB3' ' A' ' 46' ' ' LEU . 12.9 mt -155.5 158.52 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.073 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.424 ' N ' HG22 ' A' ' 49' ' ' ILE . 72.6 p -98.42 148.58 23.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.108 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -52.33 -23.88 6.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.082 0.468 . . . . 0.0 111.117 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -81.42 -39.39 25.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.666 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -75.68 -33.09 60.36 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.801 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -42.63 -34.34 0.87 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.136 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -75.33 -38.45 60.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.877 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -54.21 -57.71 10.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.748 ' H ' HD12 ' A' ' 57' ' ' ILE . 4.0 mp -45.38 -45.93 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.201 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.81 ' HE3' ' HB2' ' A' ' 178' ' ' ALA . 60.6 mttp -53.14 -55.55 23.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.193 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' A' ' 59' ' ' LYS . 2.7 mptp? -45.62 -54.76 7.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.859 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.441 HG22 ' CD1' ' A' ' 64' ' ' ILE . 83.8 mt -51.59 -48.12 36.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.225 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 58' ' ' LYS . 26.7 mt -58.78 -47.78 83.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.073 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -52.68 -32.69 43.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.849 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -84.53 -60.29 2.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.465 HD12 HG12 ' A' ' 107' ' ' ILE . 61.5 mt -48.85 -60.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.088 0.471 . . . . 0.0 111.195 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.22 -13.38 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.053 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -96.57 -22.31 17.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.449 ' HG3' ' CD1' ' A' ' 68' ' ' TYR . 15.3 ptpt -90.28 -16.36 29.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.73 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.567 ' CE2' HG13 ' A' ' 103' ' ' ILE . 52.7 m-85 -103.1 168.7 9.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -112.33 -174.93 2.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.491 ' HB3' HG22 ' A' ' 156' ' ' ILE . 8.3 mptt -107.32 98.45 8.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.707 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.462 ' O ' HG23 ' A' ' 156' ' ' ILE . 21.3 t-80 -86.81 161.7 18.21 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.998 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -109.05 102.05 11.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 33.3 m -105.47 179.6 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.033 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -137.56 148.8 46.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.802 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.604 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.1 p -106.42 112.71 40.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.072 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.417 ' NE ' ' OE2' ' A' ' 95' ' ' GLU . 0.6 OUTLIER -156.88 152.59 26.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.1 139.99 5.53 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.633 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.495 HD11 ' HZ ' ' A' ' 152' ' ' PHE . 45.0 mt -134.24 134.67 55.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 0.0 111.068 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.463 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -115.01 156.61 15.55 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.618 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.481 HG11 HD21 ' A' ' 144' ' ' LEU . 34.6 m -126.48 161.28 32.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.75 0.309 . . . . 0.0 111.27 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.704 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 13.1 m-85 -143.55 154.04 59.33 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.775 0.798 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.0 Cg_endo -69.57 -25.3 8.01 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.341 -0.245 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -159.59 158.63 27.73 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.694 0.759 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.404 ' O ' HG23 ' A' ' 87' ' ' VAL . 61.7 Cg_exo -47.63 -61.74 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.648 2.232 . . . . 0.0 112.483 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -41.2 -33.97 0.42 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.758 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -134.51 88.32 2.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 84' ' ' PRO . 88.2 t -85.28 125.4 40.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -123.47 -28.73 3.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 98.2 t -137.43 116.48 14.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.983 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.466 HD12 HG21 ' A' ' 31' ' ' ILE . 74.0 mt -88.37 132.11 34.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.068 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.704 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 43.0 p-90 -149.06 140.98 23.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.79 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.08 162.94 15.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.78 142.74 14.49 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.55 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 92.3 t -97.9 148.34 5.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.826 0.346 . . . . 0.0 111.272 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 96' ' ' ASN . 13.6 mm-40 -70.83 -176.7 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.468 ' C ' ' O ' ' A' ' 95' ' ' GLU . 7.9 t-20 -32.3 94.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 95' ' ' GLU . 9.9 p-10 -114.35 36.99 3.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.806 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -47.02 -55.2 8.61 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.8 mm -49.98 -45.86 22.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.419 HG22 ' O ' ' A' ' 100' ' ' ILE . 76.4 mt -72.44 -16.16 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.187 0.517 . . . . 0.0 111.195 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.53 ' HA ' ' CD2' ' A' ' 122' ' ' PHE . 0.6 OUTLIER -81.38 -57.45 3.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.935 179.745 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.451 ' N ' ' HD2' ' A' ' 101' ' ' LYS . 12.3 ptpt -56.87 -29.6 63.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.567 HG13 ' CE2' ' A' ' 68' ' ' TYR . 62.8 mt -72.79 -51.17 28.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.268 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.58 -38.06 59.25 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.403 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -73.04 -38.61 66.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -65.0 -42.18 94.73 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.774 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.465 HG12 HD12 ' A' ' 64' ' ' ILE . 43.4 mt -62.81 -38.95 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 111.156 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.516 ' HA ' HD12 ' A' ' 111' ' ' LEU . 33.5 t0 -74.17 -55.71 5.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 108' ' ' ASP . 0.4 OUTLIER -35.29 -41.69 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.814 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -75.07 -43.91 50.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.063 0.459 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.685 HD23 HD12 ' A' ' 114' ' ' LEU . 51.7 mt -56.18 -25.05 45.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -53.16 -34.15 55.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.98 0.419 . . . . 0.0 111.232 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -72.17 -48.35 43.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.685 HD12 HD23 ' A' ' 111' ' ' LEU . 12.7 mt -62.23 -8.07 5.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.047 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 100.85 56.42 0.9 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.487 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -130.83 167.0 19.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.981 0.42 . . . . 0.0 110.792 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -82.17 147.22 29.14 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.953 0.406 . . . . 0.0 110.956 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.498 ' HD3' ' N ' ' A' ' 119' ' ' GLU . 0.5 OUTLIER -100.4 125.4 46.66 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.975 179.758 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.498 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 52.3 mt-10 -99.89 95.92 7.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -51.54 -63.68 4.49 Favored Glycine 0 C--O 1.229 -0.201 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.474 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -100.07 119.57 38.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.923 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.53 ' CD2' ' HA ' ' A' ' 101' ' ' LYS . 19.2 t80 -96.55 137.21 35.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.5 t -131.28 118.52 40.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -81.93 99.94 9.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -137.96 160.22 39.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.621 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.0 mp -134.49 104.81 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.012 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 54.3 m -62.13 121.25 12.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.394 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 73.6 mt -85.72 -37.02 19.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.886 0.374 . . . . 0.0 110.748 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 173.41 164.19 28.26 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.485 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 77.6 mtt-85 -104.16 144.66 31.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 111.003 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.607 HG22 HG12 ' A' ' 31' ' ' ILE . 95.1 t -93.21 123.5 45.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.064 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -91.56 -58.2 2.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.827 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -156.13 138.64 14.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.404 ' CG2' ' N ' ' A' ' 135' ' ' LYS . 1.9 p -138.72 153.0 25.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.126 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.404 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 75.7 tttt -109.21 -43.12 4.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.941 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -84.78 119.22 25.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.67 -57.91 2.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 47.3 mt -39.08 -56.81 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.001 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -40.08 -51.73 3.45 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.735 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 46.0 mt -46.71 -64.78 0.68 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.806 0.336 . . . . 0.0 110.743 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -60.23 -57.66 11.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.415 ' C ' ' O ' ' A' ' 141' ' ' ALA . 7.3 mmt -36.91 -37.1 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.983 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 146' ' ' GLU . 21.1 mtmt -83.35 -53.3 5.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.816 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 63.1 mt -40.9 -34.49 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.009 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.89 -36.82 49.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.838 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 143' ' ' LYS . 73.6 mt-10 -70.78 -48.89 51.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.663 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.9 mp -86.48 14.92 6.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.816 ' HB2' ' O ' ' A' ' 144' ' ' LEU . . . -83.79 -27.48 28.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.202 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -120.32 -16.1 8.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.666 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -46.86 111.49 0.4 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.811 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -69.72 137.52 52.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.604 ' HB2' HG13 ' A' ' 75' ' ' VAL . 58.6 m-85 -102.12 -35.37 8.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 139.92 -177.12 20.79 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.483 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 30.1 p -138.25 169.4 17.85 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.799 0.333 . . . . 0.0 110.79 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -173.93 176.45 2.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.035 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.491 HG22 ' HB3' ' A' ' 70' ' ' LYS . 70.6 mt -118.55 130.8 72.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.862 HG22 HG21 ' A' ' 7' ' ' ILE . 99.3 t -84.57 96.72 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.448 ' HA ' ' CG ' ' A' ' 70' ' ' LYS . 12.5 mt-10 -100.11 -68.46 0.81 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.605 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -90.36 161.61 15.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.079 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 84.2 mt -119.69 148.76 22.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -127.82 127.11 42.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.734 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 178' ' ' ALA . 12.4 tp -108.27 115.87 30.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.805 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -113.96 162.21 16.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.479 ' CE ' ' HG2' ' A' ' 175' ' ' GLU . 0.2 OUTLIER -122.32 145.3 48.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.828 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' A' ' 2' ' ' ARG . 11.3 t -124.76 133.98 52.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.657 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 27.2 m -146.12 106.94 4.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.221 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 13.2 mt -75.43 134.78 40.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.029 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 21.6 p -139.7 155.45 71.45 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 121.698 0.761 . . . . 0.0 111.161 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -48.1 -32.02 17.72 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.478 2.119 . . . . 0.0 112.541 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -80.04 -23.96 41.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 146.98 172.86 17.67 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.467 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.63 131.9 22.4 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.734 2.289 . . . . 0.0 112.36 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 46.3 mm -109.02 143.43 19.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -137.78 121.29 17.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.479 ' HG2' ' CE ' ' A' ' 164' ' ' LYS . 10.9 pt-20 -138.08 143.28 40.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.782 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 6.4 m -79.96 143.41 34.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 67.5 mt -116.67 -41.34 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.81 ' HB2' ' HE3' ' A' ' 58' ' ' LYS . . . -143.46 142.36 31.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.198 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -145.03 108.43 4.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.043 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.605 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 4.7 m-85 -99.34 97.63 8.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.843 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 121.119 0.485 . . . . 0.0 110.837 -179.934 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ptt? . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.605 0.241 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -83.03 75.98 9.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.944 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -72.16 155.02 40.7 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.158 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 4' ' ' PHE . 28.7 p90 -171.93 132.32 0.69 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.939 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.724 HD11 ' HB3' ' A' ' 44' ' ' LYS . 39.0 pt -90.26 142.44 12.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.4 ' CB ' ' HB2' ' A' ' 40' ' ' HIS . . . -139.86 168.53 19.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.167 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.937 HG21 HG22 ' A' ' 157' ' ' VAL . 44.1 mt -105.33 128.16 59.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.082 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -58.83 122.36 13.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.773 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 9' ' ' VAL . 35.3 m -104.78 90.93 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.237 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.5 t -39.46 160.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.973 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -45.45 -39.14 6.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.009 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.3 t -39.06 -45.77 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.428 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 70.3 t -78.89 -61.06 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' VAL . 68.9 mtt180 -36.4 -65.29 0.28 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -47.53 -43.54 25.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.751 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -57.67 -55.34 36.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.43 -50.87 71.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.534 HG21 ' HD3' ' A' ' 36' ' ' ARG . 85.6 t -53.47 -41.36 44.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.059 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -48.46 -45.4 36.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.703 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.71 -48.71 76.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.45 ' OE1' ' CD1' ' A' ' 33' ' ' PHE . 19.8 mt-30 -45.8 -57.7 4.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.792 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -41.7 -43.37 2.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.901 0.381 . . . . 0.0 111.099 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -73.17 -45.53 56.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.014 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.499 HG23 ' HD3' ' A' ' 143' ' ' LYS . 51.4 mt -53.33 -55.68 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.77 168.81 1.35 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.612 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.5 m -132.77 48.77 2.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.072 0.463 . . . . 0.0 110.827 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -84.99 -60.49 2.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.932 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -75.49 -48.66 21.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.982 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.52 155.31 17.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.044 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.522 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 2.2 tmtp? -104.49 84.93 2.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.753 HG12 HG22 ' A' ' 131' ' ' VAL . 24.2 mt -110.32 126.49 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.069 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -96.5 93.9 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.779 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.45 ' CD1' ' OE1' ' A' ' 21' ' ' GLN . 17.7 m-85 -61.35 176.08 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.008 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 35' ' ' GLU . 42.0 t -122.21 154.96 27.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.433 ' N ' HG12 ' A' ' 34' ' ' VAL . 6.0 mm-40 -45.44 165.95 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.719 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.534 ' HD3' HG21 ' A' ' 18' ' ' VAL . 11.0 mtm105 -76.61 -43.42 38.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.806 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -83.51 20.71 1.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.694 ' ND2' ' CD2' ' A' ' 174' ' ' TYR . 2.9 m120 -117.84 -5.59 11.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.93 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -79.17 7.32 7.77 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.93 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.4 ' HB2' ' CB ' ' A' ' 6' ' ' ALA . 3.6 p-80 -43.08 110.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 64.9 mt -50.12 111.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.5 m -68.1 114.75 6.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.763 HD12 HD11 ' A' ' 7' ' ' ILE . 5.4 tt -86.12 -56.28 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.724 ' HB3' HD11 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -136.01 115.65 12.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -85.57 126.08 33.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.768 ' CB ' HD11 ' A' ' 49' ' ' ILE . 26.4 mt -100.55 -66.04 0.93 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.09 -127.88 9.39 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.622 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -65.5 125.1 24.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.955 0.407 . . . . 0.0 110.962 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.944 HD12 ' HB3' ' A' ' 3' ' ' ALA . 18.3 mt -150.83 147.06 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.982 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' GLU . 28.0 p -96.3 131.74 42.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.144 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -42.67 -23.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.805 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 50' ' ' THR . 7.4 pt-20 -79.44 -43.75 22.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.99 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.44 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 8.5 mm-40 -79.08 -20.26 49.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.066 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.403 ' HA ' HD13 ' A' ' 57' ' ' ILE . . . -52.17 -54.81 26.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -44.84 -36.55 3.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.454 ' OE1' ' C ' ' A' ' 56' ' ' GLU . 0.9 OUTLIER -59.13 -60.19 4.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.0 -179.836 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.768 ' H ' HD12 ' A' ' 57' ' ' ILE . 3.9 mp -44.29 -58.48 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.097 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 59' ' ' LYS . 48.5 mttt -40.62 -63.45 0.64 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' LYS . 6.6 mmpt? -37.03 -58.1 0.8 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.777 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.467 HG22 HD12 ' A' ' 64' ' ' ILE . 78.7 mt -45.43 -44.74 3.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.27 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.558 HD11 HG21 ' A' ' 5' ' ' ILE . 57.7 mt -65.06 -35.67 81.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.97 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -57.1 -44.62 83.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.688 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -73.99 -60.35 2.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.787 HG21 HG23 ' A' ' 103' ' ' ILE . 96.7 mt -48.76 -54.29 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.94 -13.26 1.03 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 66' ' ' LYS . 0.8 OUTLIER -102.69 -39.48 7.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.48 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 8.9 ptmt -67.56 -20.58 65.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.947 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -101.94 158.45 16.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -102.44 173.61 6.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -97.42 101.27 12.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.983 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.471 ' CB ' HG13 ' A' ' 99' ' ' ILE . 73.7 t60 -97.03 165.35 12.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -108.73 106.41 16.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.788 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.7 m -102.94 170.42 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.118 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.466 ' O ' HG13 ' A' ' 94' ' ' VAL . 2.7 m120 -116.59 161.04 19.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.772 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.0 p -128.25 110.42 21.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.048 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 18.3 ttt180 -159.04 146.71 17.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.955 0.407 . . . . 0.0 111.018 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.421 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 105.72 148.71 17.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.321 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 22.4 mt -142.46 131.92 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.347 . . . . 0.0 111.198 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -117.04 158.81 14.3 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.461 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.474 HG21 ' HA ' ' A' ' 84' ' ' PRO . 32.7 m -128.25 149.27 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.02 0.438 . . . . 0.0 111.052 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.58 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 10.5 m-85 -132.15 147.94 67.81 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.846 0.831 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 53.8 Cg_endo -69.8 -36.32 2.38 Favored 'Cis proline' 0 C--N 1.343 0.275 0 C-N-CA 122.773 -1.761 . . . . 0.0 112.299 -0.064 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.46 159.56 32.47 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.723 0.773 . . . . 0.0 110.806 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.474 ' HA ' HG21 ' A' ' 80' ' ' VAL . 65.2 Cg_exo -47.88 -53.96 5.87 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.606 2.204 . . . . 0.0 112.436 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -40.74 -42.24 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -133.44 80.57 1.88 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.06 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.8 t -71.46 132.27 33.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 20.4 mmm-85 -124.03 -42.41 2.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 71.9 t -129.88 125.24 60.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.287 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 57.2 mt -90.98 126.55 43.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.092 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.58 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 50.8 p-90 -140.91 140.59 34.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.009 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.69 166.63 12.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.003 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -127.31 152.54 18.78 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.658 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 74' ' ' ASN . 94.9 t -104.52 148.75 8.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.965 0.412 . . . . 0.0 111.201 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.477 ' O ' ' C ' ' A' ' 96' ' ' ASN . 68.8 mm-40 -71.34 -176.66 1.55 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.98 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.477 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.6 OUTLIER -32.02 95.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.969 0.414 . . . . 0.0 111.033 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 95' ' ' GLU . 1.2 p30 -109.26 37.18 2.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -38.04 -64.92 0.37 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.471 HG13 ' CB ' ' A' ' 71' ' ' HIS . 47.3 mm -43.82 -70.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.07 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 90.2 mt -45.12 -35.99 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -32.3 70.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.198 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 99' ' ' ILE . 1.4 mtpm? -69.29 -33.91 73.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.733 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.787 HG23 HG21 ' A' ' 64' ' ' ILE . 65.4 mt -75.89 -38.95 37.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.069 0.461 . . . . 0.0 111.238 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.46 -41.67 73.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 106' ' ' GLU . 14.5 pttp -78.01 -35.32 50.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.981 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.445 ' N ' ' HG3' ' A' ' 105' ' ' LYS . 3.2 tp10 -64.86 -42.09 95.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.61 ' CD1' HG22 ' A' ' 103' ' ' ILE . 55.6 mt -64.46 -39.93 87.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -71.23 -42.06 69.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -42.5 -28.86 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -95.05 -48.21 6.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.064 0.459 . . . . 0.0 110.911 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.528 HD23 HD12 ' A' ' 114' ' ' LEU . 72.2 mt -52.0 -45.31 64.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.198 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 111' ' ' LEU . . . -37.77 -38.18 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.26 -43.15 82.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.046 0.45 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.528 HD12 HD23 ' A' ' 111' ' ' LEU . 29.4 mt -66.65 -10.72 49.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 99.83 54.73 1.03 Allowed Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.279 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -121.96 151.69 40.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.962 0.411 . . . . 0.0 110.767 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 29.5 tttp -72.21 139.93 48.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -113.44 129.08 56.63 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -98.51 122.62 41.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.752 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -46.37 -69.08 0.9 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.565 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -98.98 139.15 35.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.897 0.379 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -97.73 135.52 39.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 73.4 t -134.62 116.84 22.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -84.92 104.78 15.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.536 ' C ' HD12 ' A' ' 126' ' ' ILE . 14.2 p-80 -133.05 169.1 17.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.622 ' N ' HD12 ' A' ' 126' ' ' ILE . 3.0 mp -139.95 114.57 7.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.173 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 79.7 m -68.59 112.18 5.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.058 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 49.5 mt -78.19 -39.22 41.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 178.08 176.45 46.06 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.553 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -118.35 146.37 44.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.996 0.427 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.753 HG22 HG12 ' A' ' 31' ' ' ILE . 90.1 t -95.68 122.92 47.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.265 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.1 -58.22 2.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.94 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.522 ' CE2' ' HG3' ' A' ' 30' ' ' LYS . 9.8 p90 -151.72 136.45 17.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 3.6 p -138.1 151.58 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.323 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -106.7 -47.45 3.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -76.71 105.09 7.57 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -70.8 -63.33 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.969 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 39.4 mt -44.69 -45.55 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.954 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -44.21 -41.6 6.45 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 69.8 mt -55.21 -62.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.92 0.391 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.41 -56.36 22.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.024 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.1 mmt -44.71 -36.25 3.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.765 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.499 ' HD3' HG23 ' A' ' 24' ' ' ILE . 13.6 ttmm -72.72 -58.62 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 63.3 mt -38.73 -54.6 1.57 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.769 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -49.11 -45.52 43.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.924 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -62.27 -39.34 92.58 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.6 mp -105.12 36.66 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.812 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -98.04 -35.44 10.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 150' ' ' GLU . 3.1 m120 -110.61 -26.44 9.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.799 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 149' ' ' ASN . 6.0 tm-20 -37.5 112.86 0.23 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.042 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -71.98 163.96 26.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -124.04 -36.06 2.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.774 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 136.18 -160.02 24.54 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.63 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 80.1 p -143.26 174.87 10.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 110.897 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -173.46 164.37 4.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.819 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 51.1 mt -114.35 127.51 71.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.225 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.937 HG22 HG21 ' A' ' 7' ' ' ILE . 86.6 t -74.19 96.48 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -93.18 -69.83 0.73 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -100.13 160.16 14.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 57.8 mt -115.29 141.88 30.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.418 ' OE1' ' N ' ' A' ' 162' ' ' LEU . 0.0 OUTLIER -120.81 138.44 54.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.418 ' N ' ' OE1' ' A' ' 161' ' ' GLU . 14.3 tp -120.06 115.6 24.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.976 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -114.77 159.76 20.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.848 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 177' ' ' LEU . 17.7 pttt -128.67 148.57 50.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.013 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 7.5 m -116.4 126.93 54.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.754 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 99.6 m -131.71 97.29 4.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.291 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 11.7 mt -66.29 133.29 50.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.996 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 33.5 p -136.2 155.88 77.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 121.665 0.745 . . . . 0.0 111.381 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -48.08 -32.84 19.47 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.562 2.175 . . . . 0.0 112.334 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -80.36 -28.74 37.96 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 153.78 173.88 23.38 Favored Glycine 0 C--N 1.329 0.148 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.53 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.45 126.68 13.81 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.593 2.195 . . . . 0.0 112.296 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 14.6 mm -98.31 132.23 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.306 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 174' ' ' TYR . . . . . 0.694 ' CD2' ' ND2' ' A' ' 38' ' ' ASN . 3.7 m-85 -127.2 130.26 49.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.762 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -160.78 162.88 32.52 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.537 HG21 ' HG3' ' A' ' 179' ' ' ARG . 15.8 m -90.47 153.09 20.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.258 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 164' ' ' LYS . 35.6 mt -120.49 -43.9 2.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -135.69 135.2 39.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.002 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 179' ' ' ARG . . . . . 0.537 ' HG3' HG21 ' A' ' 176' ' ' THR . 49.4 mtp180 -133.51 109.44 9.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.939 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -112.1 98.82 7.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.973 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.845 -179.837 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 47' ' ' GLY . 4.1 ptt? . . . . . 0 C--O 1.235 0.319 0 CA-C-O 120.689 0.28 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -84.42 81.94 8.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.979 0.419 . . . . 0.0 110.879 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.985 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -78.86 140.82 38.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.214 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.453 ' O ' HD12 ' A' ' 162' ' ' LEU . 21.8 p90 -163.69 128.44 2.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.958 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.598 HD11 ' HB3' ' A' ' 44' ' ' LYS . 38.1 pt -85.3 131.6 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.107 0.48 . . . . 0.0 111.062 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.551 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -127.7 165.98 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.797 HG21 HG22 ' A' ' 157' ' ' VAL . 76.2 mt -106.32 127.46 61.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.993 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -56.57 127.23 30.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.784 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 10' ' ' SER . 2.6 m -105.38 90.14 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.113 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 9' ' ' VAL . 17.7 m -37.78 154.72 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.693 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -45.36 -39.11 6.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.656 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 t -41.9 -37.12 1.22 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 16' ' ' ALA . 42.5 t -88.91 -59.83 2.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.454 ' O ' HG23 ' A' ' 18' ' ' VAL . 58.3 mtt180 -36.65 -57.82 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -56.86 -34.74 68.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.025 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 13' ' ' VAL . . . -60.64 -58.82 6.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.002 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.4 mt -55.51 -49.43 72.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.006 0.431 . . . . 0.0 111.051 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 14' ' ' ARG . 99.2 t -55.15 -38.94 48.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.972 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -52.42 -43.38 64.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.18 -48.0 59.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -46.4 -59.26 3.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -42.27 -43.49 3.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.988 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -69.88 -35.96 75.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.809 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.87 -58.34 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.16 145.43 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.446 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.7 p -112.31 48.09 1.02 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.839 0.352 . . . . 0.0 110.944 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -87.99 -58.29 2.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.942 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.88 -50.89 11.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.814 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.92 155.02 17.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.438 ' HD2' ' C ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -105.01 110.27 22.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.546 HG12 HG22 ' A' ' 131' ' ' VAL . 7.7 mt -132.99 129.45 57.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.17 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -93.08 85.96 5.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.866 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -56.01 166.4 0.78 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.515 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 27.5 t -111.76 146.08 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.226 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -40.16 160.41 0.01 OUTLIER 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.082 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.476 ' HD2' ' N ' ' A' ' 36' ' ' ARG . 6.3 mpt_? -69.42 -45.64 68.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.05 17.9 1.48 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.733 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.469 ' HB2' HG12 ' A' ' 34' ' ' VAL . 4.5 m120 -121.05 16.33 11.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.515 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 20.0 m-85 -96.33 8.24 44.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.942 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.551 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 3.9 p-80 -50.32 128.19 19.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.6 mt -65.9 115.41 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.283 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.8 m -66.78 100.09 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.224 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.511 ' O ' HD23 ' A' ' 43' ' ' LEU . 4.0 tt -68.69 -53.63 21.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.951 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.598 ' HB3' HD11 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -137.49 122.13 18.58 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -94.76 120.94 35.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.695 ' CB ' HD11 ' A' ' 49' ' ' ILE . 8.5 mt -103.19 -60.97 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 102.32 -124.82 8.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.332 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -69.2 130.48 42.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.839 0.352 . . . . 0.0 110.896 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.985 HD12 ' HB3' ' A' ' 3' ' ' ALA . 10.9 mt -155.62 143.01 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.098 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.6 p -93.34 146.54 23.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -52.13 -30.08 24.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -69.41 -34.24 74.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -88.03 -27.09 22.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.52 -59.83 3.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.064 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -46.27 -25.52 0.64 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.21 -55.7 6.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.957 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.623 HG13 HD21 ' A' ' 111' ' ' LEU . 2.9 mp -47.72 -60.13 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.446 ' HE3' ' HB2' ' A' ' 178' ' ' ALA . 23.0 mttp -39.02 -64.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.9 mtmm -38.65 -58.82 1.0 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.797 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 57' ' ' ILE . 71.9 mt -41.41 -50.66 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.007 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.439 HD21 HD13 ' A' ' 5' ' ' ILE . 15.2 mt -59.87 -50.33 74.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.028 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -40.43 -36.98 0.62 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.72 -53.16 5.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.062 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.404 ' HA ' ' CD ' ' A' ' 67' ' ' LYS . 60.0 mt -50.07 -55.51 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.389 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.45 -7.56 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.05 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -101.7 -37.51 8.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.988 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.404 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 4.1 pttp -82.79 -6.38 59.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.017 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.637 ' CD2' ' CG1' ' A' ' 103' ' ' ILE . 26.3 m-85 -110.48 160.89 16.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.811 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.92 170.43 7.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.795 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -113.52 111.33 21.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.06 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.667 ' O ' HG23 ' A' ' 156' ' ' ILE . 20.8 t60 -99.96 176.71 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.015 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -108.24 98.07 7.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.106 0.479 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 96' ' ' ASN . 16.3 m -96.52 177.94 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.018 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.428 ' CG ' ' HB3' ' A' ' 154' ' ' SER . 3.4 m120 -125.53 167.0 15.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.7 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.475 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.2 p -127.55 96.84 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.012 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -147.54 158.73 44.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.8 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.16 137.96 8.93 Favored Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.442 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.7 mt -139.35 137.77 40.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.06 0.457 . . . . 0.0 111.149 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.52 ' HA3' ' CZ2' ' A' ' 91' ' ' TRP . . . -123.13 162.75 16.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.392 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.514 HG11 HD21 ' A' ' 144' ' ' LEU . 35.3 m -132.02 155.79 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 111.143 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.528 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 11.9 m-85 -141.18 155.59 68.14 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.618 0.723 . . . . 0.0 110.947 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 52.8 Cg_endo -69.88 -22.19 9.88 Favored 'Cis proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.542 -1.857 . . . . 0.0 112.507 0.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.4 ' CG ' ' C ' ' A' ' 82' ' ' PRO . 0.6 OUTLIER -160.36 159.21 26.3 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.432 0.634 . . . . 0.0 111.114 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.473 ' HA ' HG21 ' A' ' 80' ' ' VAL . 68.2 Cg_exo -47.95 -62.96 0.36 Allowed 'Trans proline' 0 C--O 1.23 0.081 0 C-N-CA 122.78 2.32 . . . . 0.0 112.328 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -45.03 -33.66 2.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -128.17 92.03 3.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.731 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.3 t -86.02 130.85 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.172 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -128.4 -43.49 1.44 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.3 t -129.61 117.36 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.072 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 86.0 mt -88.09 128.41 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.055 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.52 ' CZ2' ' HA3' ' A' ' 79' ' ' GLY . 61.3 p-90 -140.6 147.99 40.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.021 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -97.88 166.89 11.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -125.81 154.91 18.88 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.506 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 74' ' ' ASN . 71.8 t -107.93 147.38 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 111.17 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.491 ' O ' ' C ' ' A' ' 96' ' ' ASN . 9.8 mt-10 -70.85 -176.35 1.32 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.491 ' C ' ' O ' ' A' ' 95' ' ' GLU . 10.5 p-10 -29.14 94.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.008 0.432 . . . . 0.0 110.884 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 95' ' ' GLU . 1.0 OUTLIER -104.02 48.86 0.83 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.823 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -51.98 -57.32 9.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.63 HG22 HD12 ' A' ' 103' ' ' ILE . 29.7 mm -55.41 -63.05 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.169 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.2 mt -48.85 -19.51 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -85.09 -67.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.409 ' HZ2' ' HB2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -48.39 -20.25 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.926 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.637 ' CG1' ' CD2' ' A' ' 68' ' ' TYR . 60.8 mt -89.51 -42.88 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.39 -31.86 68.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.945 0.403 . . . . 0.0 111.053 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -74.32 -48.08 30.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -62.12 -41.58 98.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.598 ' CD1' HG22 ' A' ' 103' ' ' ILE . 62.1 mt -55.67 -40.01 58.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -80.26 -40.56 26.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -50.61 -27.99 7.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -89.35 -37.29 14.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 1.067 HD23 HD12 ' A' ' 114' ' ' LEU . 57.7 mt -68.73 -28.89 67.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.22 -31.74 6.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.062 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -76.69 -34.63 58.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.936 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 1.067 HD12 HD23 ' A' ' 111' ' ' LEU . 58.2 mt -69.41 -27.35 65.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.977 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 126.49 49.62 0.18 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.481 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -131.97 -176.74 4.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -130.36 144.59 51.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.742 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -113.11 128.35 56.46 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.787 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -99.83 99.55 10.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.976 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -38.67 -46.54 2.18 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.397 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -80.44 92.1 5.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -95.83 137.03 35.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 87.9 t -137.34 112.67 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.224 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.93 105.25 7.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.105 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -136.75 164.29 28.62 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.594 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.5 mp -134.93 105.14 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 69.6 m -59.94 115.13 3.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 40.7 mt -79.15 -33.39 44.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 170.71 179.31 41.94 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.351 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -121.17 144.96 48.3 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.952 0.406 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.546 HG22 HG12 ' A' ' 31' ' ' ILE . 69.8 t -92.31 130.69 41.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.245 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -99.44 -54.35 2.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.797 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.482 ' O ' ' CD1' ' A' ' 133' ' ' PHE . 6.9 p90 -153.57 133.37 13.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.79 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.58 HG21 HD21 ' A' ' 140' ' ' LEU . 2.3 p -133.0 157.56 43.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.047 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.48 ' N ' HG22 ' A' ' 134' ' ' VAL . 9.0 mtpm? -118.92 -41.47 2.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.993 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -78.45 97.27 5.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.69 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -63.17 -66.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 32.4 mt -43.82 -51.45 7.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.019 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -41.3 -48.28 4.56 Favored Glycine 0 CA--C 1.517 0.164 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.275 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.58 HD21 HG21 ' A' ' 134' ' ' VAL . 84.8 mt -43.92 -60.78 1.68 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.712 0.291 . . . . 0.0 110.854 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -68.38 -57.74 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.187 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 10.7 mmt -40.37 -39.04 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.765 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 146' ' ' GLU . 15.6 ttmt -69.51 -57.36 5.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.514 HD21 HG11 ' A' ' 80' ' ' VAL . 61.1 mt -40.05 -49.57 2.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -51.17 -38.53 52.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.016 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 143' ' ' LYS . 10.2 mm-40 -71.77 -33.86 68.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.003 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 3.3 mp -107.22 37.49 2.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.027 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -106.93 -33.71 7.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.243 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -113.26 -16.52 12.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.708 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -50.54 111.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.841 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.63 153.07 42.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.792 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.475 ' HB2' HG13 ' A' ' 75' ' ' VAL . 66.0 m-85 -113.82 -35.46 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 139.93 -164.16 26.15 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.593 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.428 ' HB3' ' CG ' ' A' ' 74' ' ' ASN . 54.1 p -143.58 172.25 13.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.599 0.238 . . . . 0.0 111.009 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -173.43 172.83 3.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.97 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.667 HG23 ' O ' ' A' ' 71' ' ' HIS . 34.1 mt -116.62 131.43 69.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.1 0.476 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.797 HG22 HG21 ' A' ' 7' ' ' ILE . 54.8 t -87.6 92.66 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.192 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -96.86 -70.51 0.71 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.935 0.398 . . . . 0.0 111.046 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.929 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -88.54 178.36 6.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.995 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 160' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 161' ' ' GLU . 92.5 mt -132.08 156.72 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.494 ' N ' HG22 ' A' ' 160' ' ' ILE . 47.6 tt0 -137.31 117.47 13.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.779 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.465 HD13 ' CG2' ' A' ' 5' ' ' ILE . 28.3 tp -100.24 128.08 46.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -121.17 160.1 24.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.008 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.516 ' HB2' HD11 ' A' ' 177' ' ' LEU . 18.8 ttpt -125.26 129.46 50.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.955 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.425 ' OG ' ' CZ ' ' A' ' 174' ' ' TYR . 1.6 m -105.46 128.9 53.8 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 85.2 m -134.13 99.93 4.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.261 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 172' ' ' PRO . 25.1 mt -70.26 133.19 46.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 36.4 p -137.87 157.06 73.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.486 0.66 . . . . 0.0 111.235 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -48.1 -31.77 17.13 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.549 2.166 . . . . 0.0 112.368 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -80.47 -24.58 39.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 148.59 173.39 19.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.588 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 172' ' ' PRO . . . . . 0.439 ' HA ' HD23 ' A' ' 167' ' ' LEU . 52.8 Cg_endo -69.85 126.49 13.31 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.611 2.207 . . . . 0.0 112.231 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 14.0 mm -99.62 139.52 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.181 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 174' ' ' TYR . . . . . 0.425 ' CZ ' ' OG ' ' A' ' 165' ' ' SER . 5.1 m-85 -133.92 121.22 21.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -146.54 140.61 26.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.686 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 11.9 m -71.98 153.96 41.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.239 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.516 HD11 ' HB2' ' A' ' 164' ' ' LYS . 39.7 mt -117.05 -44.72 2.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.46 ' HB1' ' CZ ' ' A' ' 180' ' ' PHE . . . -142.15 134.67 28.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.164 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 179' ' ' ARG . . . . . 0.438 ' NH1' ' HB3' ' A' ' 179' ' ' ARG . 11.8 mtp-105 -122.19 108.2 13.03 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.789 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.929 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 30.3 m-85 -111.29 99.46 8.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.955 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 120.655 0.264 . . . . 0.0 110.755 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -95.5 95.88 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.947 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.854 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -94.29 151.27 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.177 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -157.1 141.56 16.59 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.588 HD11 ' HB3' ' A' ' 44' ' ' LYS . 14.5 pt -94.63 116.18 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.328 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.47 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -112.2 162.69 15.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.22 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.841 HG21 HG22 ' A' ' 157' ' ' VAL . 67.3 mt -106.04 125.3 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.162 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.82 126.24 19.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.862 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 10' ' ' SER . 3.5 m -105.94 86.06 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 9' ' ' VAL . 23.0 t -36.05 151.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.886 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -41.21 -43.6 2.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.949 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.8 p -39.65 -46.82 1.89 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.818 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.5 t -77.79 -54.59 12.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.174 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.737 ' O ' HG23 ' A' ' 18' ' ' VAL . 52.1 mtt180 -41.79 -53.68 3.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -38.41 76.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.973 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.23 -67.41 0.38 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.319 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.6 mt -49.63 -42.38 44.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.737 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 14' ' ' ARG . 93.3 t -60.73 -37.02 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.4 ttm-85 -55.16 -40.51 70.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.21 -47.7 70.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.244 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.464 ' HA ' HD12 ' A' ' 24' ' ' ILE . 21.9 mt-30 -50.78 -58.19 6.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.023 0.44 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -43.4 -32.15 0.8 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.772 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -84.43 -39.2 19.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.864 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 21' ' ' GLN . 95.4 mt -53.25 -50.85 44.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.08 157.36 0.09 OUTLIER Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.397 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.6 p -126.32 41.41 3.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.021 0.439 . . . . 0.0 110.702 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -78.95 -61.48 2.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.062 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -77.59 -44.65 27.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.31 162.77 12.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.406 ' HG2' ' CE2' ' A' ' 133' ' ' PHE . 0.1 OUTLIER -119.85 92.2 3.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.811 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.568 HG12 HG22 ' A' ' 131' ' ' VAL . 40.9 mt -114.2 128.78 71.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.421 ' HE3' ' C ' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -90.85 84.52 5.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.75 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -56.27 179.1 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.955 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.586 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 61.6 t -120.07 149.71 22.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.181 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -44.65 163.63 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -71.46 -43.94 65.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -83.61 23.93 0.91 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.792 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.406 ' HB2' HG12 ' A' ' 34' ' ' VAL . 2.4 m-80 -128.04 13.1 6.73 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.586 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 38.1 m-85 -96.07 5.18 51.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.811 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.47 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 4.9 p80 -51.62 126.62 18.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.758 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 63.9 mt -57.31 123.08 7.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.313 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.1 m -76.56 88.84 3.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.983 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.416 ' C ' HD23 ' A' ' 43' ' ' LEU . 4.4 tt -45.86 -57.89 3.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.588 ' HB3' HD11 ' A' ' 5' ' ' ILE . 43.8 tttp -151.61 147.69 27.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.006 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -99.24 133.11 43.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.506 ' CB ' HD11 ' A' ' 49' ' ' ILE . 12.5 mt -103.9 -56.95 2.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.046 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.0 -135.32 12.12 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.414 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -67.77 130.11 41.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.876 0.37 . . . . 0.0 110.798 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.854 HD12 ' HB3' ' A' ' 3' ' ' ALA . 24.1 mt -145.27 146.71 19.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.234 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.2 p -92.85 138.34 31.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.092 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -39.91 -36.78 0.49 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -70.93 -51.71 24.34 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.059 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -58.77 -36.56 74.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -37.45 -57.11 0.95 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.054 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.521 ' CG ' ' N ' ' A' ' 56' ' ' GLU . 4.6 pt-20 -50.14 -49.49 51.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.779 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.521 ' N ' ' CG ' ' A' ' 55' ' ' GLU . 11.0 tp10 -42.37 -63.94 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.862 HG13 HD21 ' A' ' 111' ' ' LEU . 3.8 mp -43.77 -58.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.047 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -42.42 -65.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.007 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -41.06 -61.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.3 mt -38.6 -49.05 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 48.2 mt -59.95 -53.19 60.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.944 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -39.72 -37.46 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -80.99 -56.42 4.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.062 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 67' ' ' LYS . 69.7 mt -54.89 -64.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -46.14 -20.61 0.11 Allowed 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -94.9 -29.21 14.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.703 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -74.98 -16.2 60.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.881 -179.847 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.406 ' CD2' HG12 ' A' ' 103' ' ' ILE . 53.8 m-85 -105.91 160.76 15.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.758 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -102.85 -174.99 2.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.818 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.9 110.5 20.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.932 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.537 ' CG ' HG13 ' A' ' 99' ' ' ILE . 2.8 t-160 -99.07 141.89 31.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.831 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -107.29 102.44 11.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.987 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.0 m -107.49 177.12 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.197 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 75' ' ' VAL . 32.3 t-20 -120.1 154.55 34.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.026 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 153' ' ' GLY . 1.9 p -119.82 108.78 24.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.092 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.3 ttp85 -160.31 158.47 29.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.064 0.459 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.35 148.12 19.55 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.544 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.459 HG23 ' O ' ' A' ' 91' ' ' TRP . 37.0 mt -141.79 145.21 24.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.868 0.366 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.55 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -123.03 171.91 15.8 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.42 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.409 HG21 ' HA ' ' A' ' 84' ' ' PRO . 26.8 m -139.8 164.39 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.783 0.325 . . . . 0.0 111.223 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.653 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 10.4 m-85 -149.81 154.31 37.26 Favored Pre-proline 0 C--O 1.234 0.28 0 CA-C-O 121.691 0.757 . . . . 0.0 110.696 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.1 Cg_endo -69.96 -20.16 11.11 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.552 -1.853 . . . . 0.0 112.389 0.063 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -163.38 160.33 18.09 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.461 0.648 . . . . 0.0 110.915 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.409 ' HA ' HG21 ' A' ' 80' ' ' VAL . 62.7 Cg_exo -48.15 -58.0 2.01 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.601 2.201 . . . . 0.0 112.404 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -43.78 -35.47 1.9 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.067 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -134.5 101.53 5.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.001 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 87.8 t -91.94 131.55 38.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.206 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -128.72 -33.28 2.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.978 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.6 t -136.04 119.3 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 70.0 mt -87.77 128.32 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.653 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 23.5 p-90 -145.24 144.9 31.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.938 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.82 167.15 11.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.88 152.41 17.21 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.621 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.3 t -103.61 144.62 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.701 0.286 . . . . 0.0 111.179 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.538 ' O ' ' C ' ' A' ' 96' ' ' ASN . 7.8 mm-40 -73.21 -175.97 2.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.784 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.538 ' C ' ' O ' ' A' ' 95' ' ' GLU . 12.6 p-10 -25.79 105.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.996 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.33 52.83 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -57.51 -54.99 40.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.784 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.537 HG13 ' CG ' ' A' ' 71' ' ' HIS . 29.0 mm -64.48 -64.41 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.992 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 94.0 mt -38.07 -33.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.185 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -69.82 -54.84 11.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.103 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -46.16 -50.86 15.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.41 HG22 ' CD1' ' A' ' 107' ' ' ILE . 67.8 mt -60.74 -45.27 98.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.073 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.96 -35.79 75.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -75.86 -41.75 51.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -64.19 -45.59 87.68 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.766 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.41 ' CD1' HG22 ' A' ' 103' ' ' ILE . 62.4 mt -56.87 -33.38 41.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.217 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.435 ' OD1' ' C ' ' A' ' 108' ' ' ASP . 15.5 t0 -80.96 -57.22 3.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 108' ' ' ASP . 0.8 OUTLIER -36.36 -44.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.026 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -69.28 -55.54 10.21 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.862 HD21 HG13 ' A' ' 57' ' ' ILE . 27.4 mt -48.28 -37.27 15.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.073 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -46.79 -33.54 4.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -30.14 57.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.928 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.705 HD12 HD23 ' A' ' 111' ' ' LEU . 70.5 mt -75.26 -27.35 59.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 126.52 44.3 0.25 Allowed Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.413 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.566 ' CE1' HD22 ' A' ' 111' ' ' LEU . 60.5 m-85 -120.69 168.24 11.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.916 0.388 . . . . 0.0 110.875 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -80.68 156.1 26.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.487 ' HD3' ' N ' ' A' ' 119' ' ' GLU . 0.6 OUTLIER -100.6 125.36 46.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.647 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.487 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 39.6 mt-10 -99.39 93.97 6.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.736 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -50.99 -62.45 5.33 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.367 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -99.74 135.15 41.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.99 0.424 . . . . 0.0 110.817 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -92.01 153.09 19.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 84.5 t -139.31 129.85 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -115.6 95.65 5.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.077 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -138.54 167.61 21.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.732 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.581 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.3 mp -135.11 103.75 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.001 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 50.7 m -60.54 110.41 1.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.026 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 34' ' ' VAL . 47.0 mt -77.17 -42.12 38.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.061 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 179.49 -174.73 46.45 Favored Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.408 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -125.05 152.13 44.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.341 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.568 HG22 HG12 ' A' ' 31' ' ' ILE . 60.0 t -97.91 121.92 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.171 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -91.88 -59.11 2.2 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.406 ' CE2' ' HG2' ' A' ' 30' ' ' LYS . 24.8 p90 -150.38 135.43 17.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.015 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.418 HG21 HD21 ' A' ' 140' ' ' LEU . 2.3 p -138.6 150.78 23.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.366 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -110.03 -48.65 3.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -83.0 99.01 9.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 138' ' ' LEU . 36.5 mmtt -66.59 -61.23 2.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.801 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 137' ' ' LYS . 28.7 mt -35.5 -50.69 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.055 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -45.5 -49.92 10.97 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.813 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.418 HD21 HG21 ' A' ' 134' ' ' VAL . 23.5 mt -44.0 -58.59 2.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.702 0.287 . . . . 0.0 110.805 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 143' ' ' LYS . . . -67.05 -60.87 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.374 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 141' ' ' ALA . 5.6 mmt -38.21 -30.67 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 141' ' ' ALA . 1.3 ttmp? -79.29 -55.77 4.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.791 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 148' ' ' ALA . 73.8 mt -41.03 -51.64 3.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.058 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -51.88 -40.45 60.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.962 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -67.82 -46.82 70.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.776 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 6.7 mp -84.95 2.04 44.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 144' ' ' LEU . . . -70.92 -30.16 66.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 150' ' ' GLU . 73.1 m-20 -113.12 -27.08 8.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 149' ' ' ASN . 10.9 tp10 -37.18 107.04 0.05 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.21 158.46 35.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.753 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -121.45 -38.84 2.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' GLY . . . . . 0.561 ' O ' HG12 ' A' ' 75' ' ' VAL . . . 134.32 -169.69 22.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.486 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 25.4 p -134.18 164.86 26.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.977 0.418 . . . . 0.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -164.98 167.54 18.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.7 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 18.2 mt -112.51 123.31 68.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.841 HG22 HG21 ' A' ' 7' ' ' ILE . 64.2 t -83.41 97.44 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.066 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -99.08 -68.81 0.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.133 0.492 . . . . 0.0 110.796 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.404 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -83.13 173.34 11.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.126 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 160' ' ' ILE . . . . . 0.411 HG22 ' N ' ' A' ' 161' ' ' GLU . 70.4 mt -129.7 152.49 37.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.411 ' N ' HG22 ' A' ' 160' ' ' ILE . 8.8 tt0 -126.93 134.83 50.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.451 HD23 ' HB3' ' A' ' 178' ' ' ALA . 18.5 tp -123.38 118.12 26.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.931 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -121.45 163.76 18.25 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.747 ' HE2' HD21 ' A' ' 177' ' ' LEU . 8.3 ptpt -109.91 174.31 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.776 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 30.0 t -147.8 117.64 7.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.779 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 89.6 m -129.9 98.35 4.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.148 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 13.3 mt -70.18 134.85 48.51 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.19 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 30.4 p -139.48 154.63 71.72 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.487 0.66 . . . . 0.0 111.245 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -47.78 -33.19 18.61 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.845 2.364 . . . . 0.0 112.361 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -80.07 -27.28 39.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.727 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 152.34 169.84 18.17 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 172' ' ' PRO . . . . . 0.452 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 54.5 Cg_endo -69.75 131.88 22.16 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.515 2.143 . . . . 0.0 112.506 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 28.0 mm -103.87 134.89 43.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -125.09 135.73 52.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.784 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -158.43 138.85 12.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.67 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.515 HG21 ' CG ' ' A' ' 179' ' ' ARG . 7.2 m -71.76 147.05 47.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.096 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.747 HD21 ' HE2' ' A' ' 164' ' ' LYS . 28.1 mt -117.68 -39.47 3.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.044 0.449 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.451 ' HB3' HD23 ' A' ' 162' ' ' LEU . . . -146.54 137.48 24.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.108 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 179' ' ' ARG . . . . . 0.515 ' CG ' HG21 ' A' ' 176' ' ' THR . 32.2 mtm180 -136.08 108.87 7.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.049 0.452 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.404 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 35.6 m-85 -109.59 99.84 8.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.764 -179.851 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptt? . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.634 0.254 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -82.96 74.25 9.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.961 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -78.5 147.56 33.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.234 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -161.13 138.56 9.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.933 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.772 HD11 ' HB3' ' A' ' 44' ' ' LYS . 21.4 pt -90.28 132.47 34.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.189 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.56 165.13 25.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.998 0.427 . . . . 0.0 110.96 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.828 HG21 HG22 ' A' ' 157' ' ' VAL . 84.5 mt -111.02 118.29 57.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.064 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -45.24 139.5 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.986 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.79 90.58 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.941 0.4 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -38.06 157.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.03 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 13' ' ' VAL . 44.1 mt-10 -47.9 -48.68 31.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.861 0.362 . . . . 0.0 110.804 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 11' ' ' GLU . 24.6 p -34.56 -34.84 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.906 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 11' ' ' GLU . 93.4 t -89.83 -58.43 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.462 ' O ' HG23 ' A' ' 18' ' ' VAL . 78.3 mtt180 -38.82 -58.73 1.04 Allowed 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -49.48 -46.05 47.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.735 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.06 -66.16 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.1 mt -49.03 -50.98 33.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.118 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 14' ' ' ARG . 95.5 t -59.94 -38.69 77.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.159 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.438 ' HB3' ' NH1' ' A' ' 19' ' ' ARG . 4.6 mtp-105 -57.84 -32.42 67.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.831 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.33 -47.88 25.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.105 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.552 ' OE1' ' CD1' ' A' ' 33' ' ' PHE . 19.1 mt-30 -50.13 -56.0 12.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -42.38 -37.99 1.73 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.669 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -75.79 -31.73 59.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.05 0.452 . . . . 0.0 111.06 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.467 HD11 ' CD2' ' A' ' 147' ' ' LEU . 83.6 mt -72.02 -52.19 26.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.029 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.48 169.07 0.13 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.594 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.2 p -125.07 50.91 1.71 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.875 0.369 . . . . 0.0 110.765 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.58 -62.46 1.64 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.751 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -79.31 -48.45 14.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.711 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.17 151.33 21.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.515 ' HG2' ' CZ ' ' A' ' 133' ' ' PHE . 9.5 tptm -105.96 87.54 2.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.803 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.79 HG12 HG22 ' A' ' 131' ' ' VAL . 21.7 mt -104.97 124.89 59.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.212 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -83.34 81.74 8.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.008 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.552 ' CD1' ' OE1' ' A' ' 21' ' ' GLN . 13.2 m-85 -58.48 172.3 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.599 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 62.1 t -109.39 147.63 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.278 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -50.74 176.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.084 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.56 ' HA ' ' CD2' ' A' ' 39' ' ' PHE . 40.6 mtt180 -84.34 -43.01 15.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.8 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -81.59 17.44 1.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.751 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -131.84 13.09 4.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.767 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.599 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 11.3 m-85 -85.65 5.69 30.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.845 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -52.98 149.94 6.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.796 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.1 mt -87.45 120.7 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.192 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.0 m -68.36 110.66 4.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.222 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.583 ' O ' HD23 ' A' ' 43' ' ' LEU . 4.4 tt -71.76 -46.28 58.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.772 ' HB3' HD11 ' A' ' 5' ' ' ILE . 6.2 tmtm? -162.4 114.45 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.079 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -70.76 132.67 45.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.82 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.634 HD23 ' HE3' ' A' ' 44' ' ' LYS . 16.1 mt -102.03 -61.2 1.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.03 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.43 -130.89 10.4 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.493 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -72.75 133.66 44.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.361 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.961 HD12 ' HB3' ' A' ' 3' ' ' ALA . 7.5 mt -152.37 144.59 15.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.9 p -95.08 147.13 23.75 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -50.81 -19.36 0.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.0 -33.37 39.37 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' GLU . 30.7 mm-40 -87.21 -34.19 19.07 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.02 -43.46 0.73 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -68.23 -40.67 81.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' GLN . 34.9 mm-40 -50.91 -38.38 49.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.808 HG13 HD21 ' A' ' 111' ' ' LEU . 2.6 mp -69.2 -53.76 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.065 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.602 ' HE3' ' HB2' ' A' ' 178' ' ' ALA . 41.1 mttp -47.61 -42.11 23.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -67.33 -64.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.697 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.6 mt -40.36 -45.55 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.113 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.8 mt -59.87 -45.89 91.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -48.47 -43.66 34.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.869 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -71.44 -44.94 63.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.017 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 66' ' ' LYS . 84.2 mt -66.22 -71.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -42.5 -23.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.013 0.435 . . . . 0.0 111.153 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 64' ' ' ILE . 18.1 ttpp -80.28 -50.73 9.81 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.765 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.588 ' HG3' ' CD1' ' A' ' 68' ' ' TYR . 5.5 ptpp? -60.69 -15.72 31.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.852 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.588 ' CD1' ' HG3' ' A' ' 67' ' ' LYS . 67.3 m-85 -104.91 173.11 6.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.172 0.51 . . . . 0.0 110.714 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -127.17 178.75 5.82 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 7.9 ptpt -90.18 113.43 25.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -96.3 152.98 18.08 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -99.44 100.33 11.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 31.1 m -108.9 172.8 2.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.132 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.46 ' CG ' ' N ' ' A' ' 75' ' ' VAL . 6.7 t-20 -122.84 167.19 13.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.001 0.429 . . . . 0.0 110.932 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.46 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 2.3 p -129.81 115.0 32.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.231 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -166.16 146.69 6.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.977 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.02 133.29 7.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.677 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.478 HG23 ' O ' ' A' ' 91' ' ' TRP . 33.6 mt -126.64 141.4 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.907 0.384 . . . . 0.0 111.164 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -118.68 153.14 17.11 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.611 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.428 HG21 ' HA ' ' A' ' 84' ' ' PRO . 33.2 m -128.25 154.83 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.958 0.408 . . . . 0.0 111.227 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.535 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 12.5 m-85 -141.18 154.3 67.58 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.51 0.671 . . . . 0.0 111.075 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.3 Cg_endo -69.82 -23.62 9.02 Favored 'Cis proline' 0 C--N 1.34 0.121 0 C-N-CA 122.611 -1.829 . . . . 0.0 112.402 0.131 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.55 160.82 25.74 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.537 0.684 . . . . 0.0 110.947 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.428 ' HA ' HG21 ' A' ' 80' ' ' VAL . 59.0 Cg_exo -47.68 -63.59 0.31 Allowed 'Trans proline' 0 N--CA 1.464 -0.21 0 C-N-CA 122.664 2.243 . . . . 0.0 112.445 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -41.06 -35.97 0.63 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -130.24 90.14 2.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 1.029 HG21 HD11 ' A' ' 144' ' ' LEU . 76.7 t -85.83 131.2 35.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.153 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -127.07 -39.42 1.93 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.024 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.48 HG22 ' HB3' ' A' ' 130' ' ' ARG . 53.1 t -130.13 115.91 34.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 82.4 mt -90.09 125.35 42.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.157 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.504 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 37.3 p-90 -138.94 145.96 40.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.973 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.58 163.07 13.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.14 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.49 143.17 14.55 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.623 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 95.2 t -100.72 149.87 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.86 0.362 . . . . 0.0 111.179 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.544 ' O ' ' C ' ' A' ' 96' ' ' ASN . 18.4 mt-10 -71.28 -176.11 1.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.739 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.544 ' C ' ' O ' ' A' ' 95' ' ' GLU . 20.4 p-10 -26.12 115.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.089 0.471 . . . . 0.0 110.641 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 98' ' ' GLU . 12.2 m-20 -120.9 26.72 8.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.823 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 97' ' ' ASP . 7.2 mt-10 -36.71 -64.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.1 mm -55.11 -51.23 56.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.886 0.374 . . . . 0.0 111.085 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 80.9 mt -58.72 -23.12 22.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.014 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -79.65 -67.32 0.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.782 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -44.33 -30.71 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.8 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.489 HG22 HD12 ' A' ' 107' ' ' ILE . 57.6 mt -76.39 -38.78 33.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.65 -37.59 88.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -35.47 72.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -73.51 -38.95 65.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.489 HD12 HG22 ' A' ' 103' ' ' ILE . 64.5 mt -66.31 -37.83 80.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -85.04 -26.88 26.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.91 -40.59 96.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.946 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -73.23 -50.02 24.7 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.025 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 1.106 HD23 HD12 ' A' ' 114' ' ' LEU . 36.6 mt -55.48 -31.08 61.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -45.56 -25.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.047 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.36 -37.01 28.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.988 0.423 . . . . 0.0 110.818 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 1.106 HD12 HD23 ' A' ' 111' ' ' LEU . 82.4 mt -68.31 -25.3 65.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 128.3 50.76 0.14 Allowed Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.299 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -133.47 -175.65 3.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.0 0.429 . . . . 0.0 110.812 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -133.76 144.63 49.17 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.954 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -109.95 143.13 40.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.964 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -99.5 110.27 22.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -38.89 -55.67 2.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.416 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -99.52 117.54 34.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.626 0.25 . . . . 0.0 110.996 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -98.03 148.29 23.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.912 0.387 . . . . 0.0 111.04 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 56.5 t -142.05 113.15 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.09 112.82 16.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -147.78 165.68 29.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.611 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.1 mp -134.89 105.87 6.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.975 0.417 . . . . 0.0 111.108 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 67.4 m -62.46 104.98 0.56 Allowed 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 33.9 mt -73.12 -35.72 66.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.968 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 164.42 134.08 1.59 Allowed Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.489 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.48 ' HB3' HG22 ' A' ' 89' ' ' VAL . 10.3 ptt85 -93.75 141.38 28.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.684 0.278 . . . . 0.0 110.905 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.79 HG22 HG12 ' A' ' 31' ' ' ILE . 62.8 t -70.52 152.27 8.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -119.36 -48.51 2.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.515 ' CZ ' ' HG2' ' A' ' 30' ' ' LYS . 30.4 p90 -163.94 115.99 1.38 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.517 HG22 ' N ' ' A' ' 135' ' ' LYS . 2.9 p -123.18 158.16 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.517 ' N ' HG22 ' A' ' 134' ' ' VAL . 1.6 mptp? -105.7 -36.05 7.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.777 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -95.64 111.37 23.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -72.89 -61.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.423 ' C ' ' HG3' ' A' ' 142' ' ' MET . 21.1 mt -40.2 -57.77 1.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 138' ' ' LEU . . . -38.05 -36.0 0.31 Allowed Glycine 0 C--O 1.229 -0.171 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.546 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 67.6 mt -58.0 -47.43 83.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.8 0.333 . . . . 0.0 110.998 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 143' ' ' LYS . . . -83.11 -54.74 4.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.423 ' HG3' ' C ' ' A' ' 138' ' ' LEU . 2.5 mtt -40.12 -25.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.725 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 141' ' ' ALA . 19.2 ttmm -91.42 -58.08 2.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 1.029 HD11 HG21 ' A' ' 87' ' ' VAL . 51.4 mt -36.99 -43.46 0.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.746 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -55.42 -47.43 75.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.002 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 143' ' ' LYS . 5.4 mm-40 -61.32 -42.74 99.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.75 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.467 ' CD2' HD11 ' A' ' 24' ' ' ILE . 7.5 mp -98.01 33.74 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.951 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -96.93 -39.21 9.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.054 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 150' ' ' GLU . 3.1 m120 -109.11 -21.62 12.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 149' ' ' ASN . 8.4 tm-20 -38.14 123.43 1.12 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.802 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -79.21 156.67 28.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -120.39 -35.76 3.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.125 0.488 . . . . 0.0 110.718 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 133.07 -163.82 24.23 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.41 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.8 p -140.55 174.7 10.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.736 0.303 . . . . 0.0 111.033 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -174.3 165.16 4.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.758 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 75.6 mt -114.27 130.49 68.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.031 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.828 HG22 HG21 ' A' ' 7' ' ' ILE . 45.1 t -86.59 100.36 9.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.207 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -91.74 -69.03 0.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.016 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.911 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -97.1 -175.02 3.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 160' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 161' ' ' GLU . 60.4 mt -131.24 156.47 42.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.481 ' N ' HG22 ' A' ' 160' ' ' ILE . 5.2 tt0 -134.0 128.28 34.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.735 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 15.2 tp -110.82 121.43 45.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -114.22 162.02 17.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.462 ' HB2' ' CD1' ' A' ' 177' ' ' LEU . 13.0 ttpt -130.37 141.88 50.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.401 ' N ' ' HG2' ' A' ' 164' ' ' LYS . 4.2 t -115.89 132.12 56.74 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.76 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 44.2 m -130.64 98.27 4.6 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 15.2 mt -68.0 133.74 49.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 30.0 p -138.28 155.24 74.19 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.435 0.636 . . . . 0.0 111.29 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -47.95 -32.56 18.16 Favored 'Trans proline' 0 N--CA 1.467 -0.083 0 C-N-CA 122.766 2.31 . . . . 0.0 112.256 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -80.2 -28.12 38.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 153.36 171.4 20.55 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.626 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.86 128.52 16.05 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.718 2.279 . . . . 0.0 112.207 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 37.6 mm -105.91 136.76 38.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.157 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -125.6 136.51 53.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -159.41 152.08 21.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.072 0.463 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.493 HG21 ' HG3' ' A' ' 179' ' ' ARG . 15.2 m -82.78 144.23 30.3 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.407 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 164' ' ' LYS . 21.5 mt -109.49 -40.31 4.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.083 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.602 ' HB2' ' HE3' ' A' ' 58' ' ' LYS . . . -155.47 138.54 15.51 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 179' ' ' ARG . . . . . 0.493 ' HG3' HG21 ' A' ' 176' ' ' THR . 14.9 mtp-105 -130.7 111.55 12.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.778 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.911 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 47.0 m-85 -98.64 99.63 10.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.842 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.405 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 120.914 0.388 . . . . 0.0 110.804 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 46.0 mtm-85 -94.79 90.16 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.743 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -90.89 146.74 23.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 4' ' ' PHE . 17.5 p90 -159.28 138.3 11.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.694 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.71 HD11 ' HB3' ' A' ' 44' ' ' LYS . 19.0 pt -93.38 126.96 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.84 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -123.4 167.0 14.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.111 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.759 HG21 HG22 ' A' ' 157' ' ' VAL . 57.6 mt -110.45 129.53 65.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.256 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.31 131.87 38.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.611 HG23 ' HG3' ' A' ' 14' ' ' ARG . 10.7 m -106.74 87.51 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.137 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 9' ' ' VAL . 86.2 p -36.88 153.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.822 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.73 -33.71 1.97 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.021 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.8 p -49.62 -38.35 31.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.006 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.545 HG22 HG11 ' A' ' 75' ' ' VAL . 92.5 t -89.6 -51.14 12.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.195 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.611 ' HG3' HG23 ' A' ' 9' ' ' VAL . 67.1 mtt180 -44.48 -60.02 2.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.692 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -62.47 -34.99 77.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.32 -59.92 4.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.012 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.4 mt -58.12 -49.9 75.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 14' ' ' ARG . 99.5 t -53.89 -42.03 51.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.057 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -50.35 -43.78 54.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.768 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.43 ' HB1' HD21 ' A' ' 147' ' ' LEU . . . -66.32 -51.82 53.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.03 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 24' ' ' ILE . 20.2 mt-30 -41.64 -62.07 0.96 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' GLN . 30.5 t0 -38.21 -41.48 0.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -73.93 -41.71 61.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.99 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.583 HG23 ' HD3' ' A' ' 143' ' ' LYS . 49.8 mt -55.97 -59.98 2.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.58 151.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.4 p -111.27 49.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.933 0.397 . . . . 0.0 110.898 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -71.79 -66.08 0.68 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.725 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 1.3 pm0 -82.01 -38.26 25.32 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.436 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -99.75 154.99 17.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.198 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.528 ' HG2' ' CE2' ' A' ' 133' ' ' PHE . 26.5 tptp -111.98 85.55 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.663 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.7 mt -107.62 126.21 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.103 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.85 95.44 10.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.921 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -66.47 164.14 17.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.558 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 17.5 t -111.26 150.15 13.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.098 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -41.8 164.38 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.747 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -75.53 -44.62 42.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -79.6 12.38 2.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.795 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.437 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 3.1 m120 -112.42 1.29 15.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.017 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.558 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 28.3 m-85 -88.12 9.26 23.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.494 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 2.1 p-80 -53.05 110.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.6 mt -40.64 120.73 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.247 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.7 m -75.73 103.09 5.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.074 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -64.82 -53.18 50.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.71 ' HB3' HD11 ' A' ' 5' ' ' ILE . 21.0 tttm -153.64 145.92 23.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.449 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 49.0 t80 -98.69 140.16 33.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.784 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.496 ' CB ' HD11 ' A' ' 49' ' ' ILE . 7.3 mt -112.52 -62.76 1.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.748 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 102.48 -138.39 13.9 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.555 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.21 132.25 48.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.9 0.381 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.743 HD12 ' HB3' ' A' ' 3' ' ' ALA . 24.0 mt -149.51 147.49 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 51' ' ' GLU . 41.5 p -89.73 131.93 35.45 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' THR . 22.4 tt0 -34.41 -39.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -69.73 -68.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.543 ' O ' HD12 ' A' ' 57' ' ' ILE . 30.8 mm-40 -39.08 -36.76 0.32 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.143 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.438 ' HA ' HD13 ' A' ' 57' ' ' ILE . . . -40.95 -61.05 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.025 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -46.74 -32.27 3.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.756 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.12 -47.4 80.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.79 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.711 ' H ' HD12 ' A' ' 57' ' ' ILE . 4.2 mp -63.46 -42.4 96.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.24 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.51 ' HE3' ' HB2' ' A' ' 178' ' ' ALA . 26.8 mtpt -58.03 -62.7 1.63 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.985 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.489 ' HG3' ' N ' ' A' ' 60' ' ' ILE . 4.2 ptpp? -43.65 -37.73 2.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.042 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.489 ' N ' ' HG3' ' A' ' 59' ' ' LYS . 84.9 mt -64.07 -49.48 81.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 53.5 mt -57.76 -42.93 85.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -46.36 -47.25 18.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.088 0.471 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -70.61 -60.38 2.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 84.8 mt -44.35 -64.66 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.237 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.56 -19.91 0.22 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -85.49 -51.02 6.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -18.0 43.78 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.564 ' CD2' HG12 ' A' ' 103' ' ' ILE . 47.1 m-85 -103.01 156.62 17.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.768 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -106.97 177.29 4.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -80.21 115.13 19.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.894 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.532 ' CG ' HG13 ' A' ' 99' ' ' ILE . 4.1 t-160 -95.69 143.16 27.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.042 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -105.83 103.4 12.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.903 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 34.9 m -114.86 179.64 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.108 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' A' ' 153' ' ' GLY . 0.6 OUTLIER -132.58 154.16 50.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.846 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.669 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.5 p -111.3 116.82 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.94 0.4 . . . . 0.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -165.78 148.53 7.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.79 124.1 2.87 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.391 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.454 HG23 ' O ' ' A' ' 91' ' ' TRP . 60.9 mt -120.82 130.38 74.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.92 0.391 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.94 169.04 14.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.537 -0.839 . . . . 0.0 112.517 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.432 HG21 ' HA ' ' A' ' 84' ' ' PRO . 27.7 m -138.04 159.44 33.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 120.982 0.42 . . . . 0.0 110.963 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.701 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 13.7 m-85 -143.63 154.22 59.29 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 121.657 0.741 . . . . 0.0 110.873 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.2 Cg_endo -69.65 -25.38 8.0 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.82 -1.742 . . . . 0.0 112.348 0.072 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 82' ' ' PRO . 1.5 m-80 -158.07 159.19 30.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 121.35 0.595 . . . . 0.0 111.096 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.432 ' HA ' HG21 ' A' ' 80' ' ' VAL . 65.1 Cg_exo -48.04 -61.77 0.54 Allowed 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.659 2.239 . . . . 0.0 112.388 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -46.15 -28.58 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.014 0.435 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -134.04 92.05 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.918 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 68.9 t -87.16 135.2 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.2 mmm-85 -133.5 -33.64 1.09 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.646 HG22 ' HG2' ' A' ' 130' ' ' ARG . 91.7 t -139.05 117.94 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 72.2 mt -86.97 131.67 34.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.273 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.701 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 37.9 p-90 -148.2 144.03 27.45 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.9 168.22 11.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -125.77 149.26 17.22 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.526 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 87.3 t -106.68 146.98 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.728 0.299 . . . . 0.0 111.207 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 96' ' ' ASN . 13.7 mt-10 -72.07 -176.89 1.88 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.066 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 95' ' ' GLU . 4.7 t-20 -34.04 105.67 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.841 0.353 . . . . 0.0 110.659 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.791 ' HB2' HD12 ' A' ' 100' ' ' ILE . 7.0 p-10 -121.75 47.24 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.682 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 101' ' ' LYS . 5.3 tp10 -49.06 -68.36 0.19 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.532 HG13 ' CG ' ' A' ' 71' ' ' HIS . 48.1 mm -39.74 -47.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.048 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.791 HD12 ' HB2' ' A' ' 97' ' ' ASP . 75.3 mt -63.34 -40.28 88.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.837 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.481 ' HG2' ' CD1' ' A' ' 122' ' ' PHE . 6.6 mtmp? -63.57 -59.07 5.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.027 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.44 ' CD ' ' HA ' ' A' ' 99' ' ' ILE . 8.3 ptpt -50.3 -38.58 42.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.564 HG12 ' CD2' ' A' ' 68' ' ' TYR . 66.0 mt -67.86 -53.96 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.106 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -48.15 -33.98 9.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.057 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -71.32 -44.22 65.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -62.27 -47.78 82.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 58.0 mt -56.14 -35.35 41.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -81.75 -32.97 31.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.904 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.74 -39.52 74.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.677 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -76.09 -42.8 46.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.012 0.434 . . . . 0.0 110.962 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.706 HD12 ' HE3' ' A' ' 44' ' ' LYS . 75.6 mt -62.31 -39.88 94.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.859 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -39.86 -35.15 0.32 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.054 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -70.28 -43.66 69.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.934 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.639 HD12 HD23 ' A' ' 111' ' ' LEU . 22.5 mt -64.69 -26.95 68.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.798 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 123.47 47.12 0.26 Allowed Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.41 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.511 ' CD2' ' HB3' ' A' ' 111' ' ' LEU . 66.2 m-85 -120.64 168.14 11.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.89 0.376 . . . . 0.0 110.981 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -107.25 151.98 24.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.06 137.32 42.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -100.15 123.91 44.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -48.53 -54.14 14.34 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -91.29 131.43 36.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.749 0.309 . . . . 0.0 111.007 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.667 ' HE1' ' HB2' ' A' ' 124' ' ' ALA . 9.8 t80 -99.82 145.34 27.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.406 ' N ' ' CD1' ' A' ' 122' ' ' PHE . 45.8 t -142.36 109.58 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.667 ' HB2' ' HE1' ' A' ' 122' ' ' PHE . . . -85.49 106.19 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.459 ' C ' HD12 ' A' ' 126' ' ' ILE . 29.5 p-80 -135.68 168.1 19.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.853 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.517 ' N ' HD12 ' A' ' 126' ' ' ILE . 4.1 mp -136.43 106.26 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.078 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 45.4 m -64.46 111.96 2.91 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' ' 34' ' ' VAL . 50.3 mt -78.99 -40.62 31.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.994 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 179.37 176.18 46.83 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.651 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.646 ' HG2' HG22 ' A' ' 89' ' ' VAL . 51.0 mtp180 -116.97 142.86 46.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 110.943 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 59.5 t -84.76 105.01 13.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.191 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 17.5 tttm -73.9 -57.26 4.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.003 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.528 ' CE2' ' HG2' ' A' ' 30' ' ' LYS . 12.3 p90 -155.62 131.47 9.91 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.6 p -134.29 147.27 30.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.142 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -109.4 -44.87 3.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -83.91 99.59 10.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -62.38 -59.62 4.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 80.5 mt -43.07 -48.84 6.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -43.31 -36.5 3.04 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.648 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.64 -63.45 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 111.016 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -61.2 -61.6 2.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.108 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 141' ' ' ALA . 6.6 mmt -36.28 -35.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.641 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.583 ' HD3' HG23 ' A' ' 24' ' ' ILE . 1.2 ttmp? -77.79 -56.28 4.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.944 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 143' ' ' LYS . 90.7 mt -37.14 -60.22 0.66 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.718 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -43.53 -49.6 7.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -58.57 -42.21 87.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.43 HD21 ' HB1' ' A' ' 20' ' ' ALA . 8.7 mp -101.11 39.89 1.35 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -105.52 -32.95 8.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.078 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 150' ' ' GLU . 32.1 m-80 -111.57 -23.48 10.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.811 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 149' ' ' ASN . 8.6 mt-10 -36.78 124.26 0.86 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.033 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -84.09 139.0 32.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.758 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.669 ' HB2' HG13 ' A' ' 75' ' ' VAL . 37.9 m-85 -103.81 -38.78 6.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' GLY . . . . . 0.402 ' O ' ' ND2' ' A' ' 74' ' ' ASN . . . 138.84 -164.72 25.74 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.627 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.8 m -140.88 167.04 23.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.846 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' PHE . . . . . 0.417 ' CE2' HG21 ' A' ' 13' ' ' VAL . 16.0 p90 -169.79 155.39 5.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.057 0.456 . . . . 0.0 110.803 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 54.0 mt -104.86 125.48 59.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.36 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.759 HG22 HG21 ' A' ' 7' ' ' ILE . 38.0 t -75.55 100.47 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.083 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -98.4 -67.9 0.83 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.802 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.686 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -96.33 171.14 8.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.037 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 160' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 161' ' ' GLU . 86.2 mt -126.39 151.79 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.221 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.401 ' N ' HG22 ' A' ' 160' ' ' ILE . 63.7 tt0 -126.88 145.22 50.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.519 HD23 ' HB3' ' A' ' 178' ' ' ALA . 12.8 tp -131.19 115.67 16.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -118.02 158.36 25.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.478 ' HB3' ' CD1' ' A' ' 177' ' ' LEU . 7.2 pttm -115.96 175.22 5.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.049 0.452 . . . . 0.0 110.744 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 30.9 m -144.58 127.71 16.62 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.802 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 28.6 m -134.29 99.61 4.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.043 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 16.2 mt -69.82 131.31 44.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.834 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 29.9 p -134.88 155.68 79.09 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.479 0.656 . . . . 0.0 111.439 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -47.78 -31.99 16.06 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.716 2.278 . . . . 0.0 112.399 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -80.43 -26.55 38.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 151.11 173.29 20.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.431 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.65 126.28 13.2 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.883 2.388 . . . . 0.0 112.268 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 14.9 mm -100.0 133.73 41.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.068 0.461 . . . . 0.0 111.079 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -128.32 132.33 48.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.744 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -158.58 146.25 18.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.409 HG21 ' HG2' ' A' ' 179' ' ' ARG . 24.7 m -75.02 148.27 40.0 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.212 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 164' ' ' LYS . 24.3 mt -115.86 -44.92 2.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.007 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.519 ' HB3' HD23 ' A' ' 162' ' ' LEU . . . -135.72 141.65 44.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 179' ' ' ARG . . . . . 0.409 ' HG2' HG21 ' A' ' 176' ' ' THR . 20.1 mmm-85 -135.85 109.04 7.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.939 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.686 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 20.5 m-85 -105.25 98.3 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.066 0.46 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 . . . . . 0 C--O 1.233 0.203 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.861 -179.855 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 tpt . . . . . 0 N--CA 1.462 0.139 0 CA-C-O 120.721 0.296 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -71.51 67.41 0.52 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.772 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.526 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -68.34 149.21 49.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.162 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.659 ' O ' HD12 ' A' ' 162' ' ' LEU . 31.7 p90 -168.32 132.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.575 HG21 HD11 ' A' ' 61' ' ' LEU . 46.3 pt -87.95 137.98 20.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.985 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.619 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -131.72 163.98 26.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.18 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.519 HG21 HG22 ' A' ' 157' ' ' VAL . 82.8 mt -103.7 118.79 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.064 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -50.04 120.96 4.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.493 HG23 ' NE ' ' A' ' 14' ' ' ARG . 4.7 m -101.66 90.64 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 9' ' ' VAL . 11.6 t -33.93 148.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.792 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -43.85 -25.19 0.17 Allowed 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.82 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.5 p -51.46 -47.26 63.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.795 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.404 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 84.5 t -82.3 -43.17 19.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.493 ' NE ' HG23 ' A' ' 9' ' ' VAL . 22.9 mmt180 -41.5 -64.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.909 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -58.5 -43.9 89.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.737 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -44.64 -62.77 1.08 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.049 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt -55.11 -48.51 73.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.038 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.7 t -52.64 -42.46 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.939 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.0 ttm-85 -50.64 -49.5 56.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.708 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.17 -50.1 74.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.944 0.402 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -47.23 -56.17 7.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -42.9 -34.88 1.04 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.726 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -81.01 -40.49 24.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.8 mt -54.9 -57.17 7.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.935 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.43 165.07 1.85 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.459 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.3 p -132.02 42.08 3.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.854 0.359 . . . . 0.0 110.792 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -79.88 -50.7 10.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -86.39 -45.45 11.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.84 179.01 4.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.591 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 30.8 mmmt -132.59 86.82 2.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.572 HG12 HG22 ' A' ' 131' ' ' VAL . 37.3 mt -111.5 120.05 61.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.009 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.11 89.44 8.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -56.05 175.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.004 0.43 . . . . 0.0 110.826 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.567 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 46.4 t -116.51 148.91 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.961 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -42.05 159.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.075 0.464 . . . . 0.0 110.727 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.484 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 50.3 mtp180 -70.2 -42.43 72.37 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -84.47 24.7 0.96 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.476 ' ND2' ' CE2' ' A' ' 174' ' ' TYR . 3.3 m120 -128.57 11.93 6.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 27.0 m-85 -92.48 7.75 41.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.986 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.619 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 3.4 p-80 -54.84 122.37 10.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.487 HG12 ' CG1' ' A' ' 126' ' ' ILE . 44.7 mt -58.48 120.58 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.181 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 50.0 m -69.76 102.77 1.99 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.749 ' O ' HD23 ' A' ' 43' ' ' LEU . 3.6 tt -68.12 -37.47 81.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.416 ' HB3' HD11 ' A' ' 5' ' ' ILE . 8.0 tmtm? -167.39 133.1 2.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.852 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -90.08 136.71 32.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.826 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.697 ' HB3' HD11 ' A' ' 49' ' ' ILE . 20.1 mt -107.79 -63.79 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.92 -139.17 14.3 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.254 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.4 130.76 45.03 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.9 0.381 . . . . 0.0 110.811 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.697 HD11 ' HB3' ' A' ' 46' ' ' LEU . 46.0 mt -149.3 154.89 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.24 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.434 ' N ' HG22 ' A' ' 49' ' ' ILE . 21.0 p -95.76 145.71 25.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.101 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -46.92 -35.43 6.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -72.04 -38.05 69.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.763 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.611 ' O ' HD12 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -76.16 -30.48 58.13 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.768 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -40.22 -66.65 0.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.074 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -52.61 -29.02 23.74 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.408 ' CB ' ' O ' ' A' ' 53' ' ' GLN . 2.9 tt0 -60.04 -40.22 88.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.815 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 53' ' ' GLN . 3.8 mp -69.96 -44.93 78.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.042 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.453 ' HG2' ' CB ' ' A' ' 178' ' ' ALA . 0.8 OUTLIER -63.42 -58.45 7.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.116 179.638 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.491 ' HG3' ' N ' ' A' ' 60' ' ' ILE . 15.6 ptpt -44.75 -45.26 9.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.807 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.491 ' N ' ' HG3' ' A' ' 59' ' ' LYS . 77.7 mt -61.18 -50.41 80.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.575 HD11 HG21 ' A' ' 5' ' ' ILE . 44.4 mt -50.02 -48.05 52.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -49.15 -37.61 22.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.721 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -70.2 -53.0 18.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.877 0.37 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.565 HG23 ' CE1' ' A' ' 68' ' ' TYR . 90.1 mt -61.4 -67.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.202 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -43.2 -22.97 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.268 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 64' ' ' ILE . 19.2 tttp -86.08 -53.16 5.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.717 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -19.16 61.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.601 ' CD2' HG12 ' A' ' 103' ' ' ILE . 51.5 m-85 -100.0 159.67 14.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.18 177.43 4.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.981 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.449 ' HB2' ' CG2' ' A' ' 156' ' ' ILE . 8.9 ptpt -109.76 110.04 20.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.43 ' CG ' ' N ' ' A' ' 72' ' ' GLU . 38.4 t-80 -97.41 162.0 13.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.43 ' N ' ' CG ' ' A' ' 71' ' ' HIS . 10.0 tt0 -97.18 100.32 11.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.713 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 23.4 m -101.18 158.48 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.232 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 153' ' ' GLY . 16.4 t-20 -113.44 165.79 12.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.143 0.497 . . . . 0.0 110.813 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.672 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.7 p -126.71 113.52 33.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.411 ' C ' ' HD3' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -160.91 152.9 19.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.82 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.18 140.87 9.15 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.527 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 91' ' ' TRP . 84.2 mt -136.4 150.8 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.932 0.396 . . . . 0.0 111.005 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -132.2 169.0 22.34 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.468 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.4 m -133.7 175.53 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.792 0.33 . . . . 0.0 111.115 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.57 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 11.4 m-85 -158.08 149.09 16.36 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 121.578 0.704 . . . . 0.0 110.934 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 53.5 Cg_endo -69.74 -28.38 6.29 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.891 -1.712 . . . . 0.0 112.361 -0.111 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -157.91 161.29 29.17 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 121.627 0.727 . . . . 0.0 110.999 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -48.11 -56.33 3.21 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.733 2.288 . . . . 0.0 112.169 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -40.31 -40.54 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.971 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -134.92 91.85 2.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.2 t -80.77 127.44 39.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.276 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -118.28 -40.16 2.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.792 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 87.9 t -135.93 126.38 42.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.489 ' CD1' HD13 ' A' ' 31' ' ' ILE . 79.5 mt -91.22 136.03 25.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.111 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.57 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 51.5 p-90 -146.74 139.98 25.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.829 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.39 163.14 13.71 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.16 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.44 145.2 15.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.426 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 95' ' ' GLU . 62.2 t -99.11 154.9 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-O 120.595 0.236 . . . . 0.0 111.304 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.497 ' O ' ' C ' ' A' ' 96' ' ' ASN . 8.3 mm-40 -75.67 -176.58 3.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.497 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -29.55 115.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.687 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.593 ' OD2' HD12 ' A' ' 100' ' ' ILE . 2.1 m-20 -125.14 28.97 6.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.785 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 97' ' ' ASP . 4.2 tp10 -35.83 -49.63 0.62 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.3 mm -60.5 -61.51 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.112 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.593 HD12 ' OD2' ' A' ' 97' ' ' ASP . 79.2 mt -56.46 -19.77 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.218 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -78.18 -58.65 3.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.79 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -59.33 -32.94 70.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.028 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.601 HG12 ' CD2' ' A' ' 68' ' ' TYR . 91.7 mt -67.26 -44.52 87.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.097 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.48 -38.47 69.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.174 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -63.49 -41.48 98.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -66.6 -43.92 83.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.701 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.428 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 63.6 mt -62.39 -37.48 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.233 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -82.66 -30.13 29.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.878 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -57.06 -41.35 78.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.814 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.95 -52.41 11.26 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.954 0.406 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.736 HD23 HD12 ' A' ' 114' ' ' LEU . 74.8 mt -51.16 -42.03 60.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -38.49 -38.71 0.4 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.988 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -68.86 -39.49 79.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.736 HD12 HD23 ' A' ' 111' ' ' LEU . 48.6 mt -64.52 -17.98 64.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.74 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 112.64 42.14 0.97 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.566 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -115.82 167.62 10.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.91 0.386 . . . . 0.0 110.811 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -89.53 160.45 16.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.703 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -127.58 124.1 37.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.991 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 23.8 mp0 -97.11 110.59 23.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.974 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.28 -54.1 36.45 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.4 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -93.57 112.53 24.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.647 0.26 . . . . 0.0 110.96 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -94.61 137.89 33.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.031 0.443 . . . . 0.0 110.831 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 44.8 t -137.32 109.62 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.172 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.92 103.14 5.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.201 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.513 ' C ' HD12 ' A' ' 126' ' ' ILE . 39.3 p-80 -136.44 168.88 18.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.596 ' N ' HD12 ' A' ' 126' ' ' ILE . 3.1 mp -139.85 106.44 2.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.136 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 89.0 m -61.69 106.74 0.71 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.037 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 29.3 mt -67.9 -41.42 82.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.696 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -179.19 -168.16 37.79 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.532 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 -132.89 138.28 46.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.939 0.4 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.572 HG22 HG12 ' A' ' 31' ' ' ILE . 56.5 t -83.2 126.09 40.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.243 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -90.48 -60.42 1.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.966 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.591 ' CE2' ' HG3' ' A' ' 30' ' ' LYS . 40.3 p90 -164.16 117.66 1.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 135' ' ' LYS . 3.1 p -114.5 154.67 15.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.213 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.446 ' N ' HG22 ' A' ' 134' ' ' VAL . 14.9 mmtp -101.29 -46.59 4.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.892 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -86.2 116.34 24.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.035 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 138' ' ' LEU . 0.0 OUTLIER -78.56 -60.44 2.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 137' ' ' LYS . 30.3 mt -34.86 -60.27 0.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.954 0.406 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -37.86 -46.53 1.72 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.511 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.402 HD21 HG11 ' A' ' 134' ' ' VAL . 35.6 mt -47.31 -61.54 1.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.704 0.287 . . . . 0.0 110.693 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.594 ' HA ' HD12 ' A' ' 144' ' ' LEU . . . -68.62 -59.93 2.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.187 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 141' ' ' ALA . 23.8 mmt -35.98 -42.46 0.28 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.807 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 146' ' ' GLU . 1.7 ttmp? -70.52 -48.73 54.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.823 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 141' ' ' ALA . 64.1 mt -36.98 -41.67 0.36 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -61.55 -46.99 87.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.988 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.508 ' N ' ' OE1' ' A' ' 146' ' ' GLU . 0.7 OUTLIER -56.55 -43.62 80.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.067 0.461 . . . . 0.0 110.947 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.41 ' HB3' HD12 ' A' ' 78' ' ' ILE . 5.4 mp -100.72 37.31 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -96.69 -40.17 9.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -115.06 -18.03 11.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -40.29 108.16 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.772 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -69.62 152.06 45.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.672 ' HB2' HG13 ' A' ' 75' ' ' VAL . 48.4 m-85 -114.61 -35.02 5.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.742 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 153' ' ' GLY . . . . . 0.433 ' O ' ' ND2' ' A' ' 74' ' ' ASN . . . 138.46 -163.55 25.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.365 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 44.8 t -146.13 172.43 13.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.758 0.313 . . . . 0.0 111.009 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -173.79 171.85 3.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.991 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.449 ' CG2' ' HB2' ' A' ' 70' ' ' LYS . 79.4 mt -116.7 126.67 74.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.187 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.519 HG22 HG21 ' A' ' 7' ' ' ILE . 99.3 t -76.23 98.79 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.063 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -97.43 -72.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.987 0.423 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.693 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -95.66 172.68 7.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.24 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 95.9 mt -126.35 147.79 31.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.242 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -127.22 124.23 38.45 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 4' ' ' PHE . 12.0 tp -110.51 133.96 52.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -127.02 164.49 21.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.027 0.441 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -129.83 132.91 46.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.778 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 6.5 t -110.69 130.11 55.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 90.8 m -134.93 101.76 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 21.2 mt -68.26 130.46 42.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 20.6 p -132.94 157.77 77.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.51 0.672 . . . . 0.0 111.136 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -47.65 -32.02 15.51 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.825 2.35 . . . . 0.0 112.354 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 171' ' ' GLY . 3.0 ptmm? -80.32 -31.36 38.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.14 0.495 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 171' ' ' GLY . . . . . 0.401 ' N ' ' HG3' ' A' ' 170' ' ' LYS . . . 156.61 176.41 28.66 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.357 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 123.93 10.55 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.8 2.334 . . . . 0.0 112.338 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 39.4 mm -97.54 136.29 28.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 174' ' ' TYR . . . . . 0.476 ' CE2' ' ND2' ' A' ' 38' ' ' ASN . 4.6 m-85 -132.29 115.47 15.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.678 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -139.57 144.07 37.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.783 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 11.8 m -75.96 145.32 40.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.149 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 26.0 mt -104.12 -46.95 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.015 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.453 ' CB ' ' HG2' ' A' ' 58' ' ' LYS . . . -153.29 148.75 27.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.041 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -135.45 105.44 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.693 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 10.9 m-85 -90.87 98.07 11.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.835 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.661 -179.799 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.648 0.261 . . . . 0.0 110.759 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -97.18 101.41 12.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.935 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -98.21 135.22 40.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 4' ' ' PHE . 16.0 p90 -146.86 129.35 15.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.707 HD11 ' HB3' ' A' ' 44' ' ' LYS . 13.0 pt -93.99 119.55 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.346 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.652 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -116.9 170.5 8.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.266 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.84 HG21 HG22 ' A' ' 157' ' ' VAL . 43.2 mt -102.88 131.4 51.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.036 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -58.29 131.31 50.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.814 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 9' ' ' VAL . 34.2 m -108.82 90.55 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 11' ' ' GLU . 23.5 m -39.42 145.5 0.12 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.834 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 10' ' ' SER . 13.9 pt-20 -33.09 -41.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' GLU . 22.7 t -37.37 -58.31 0.85 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.978 0.418 . . . . 0.0 110.782 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.4 t -70.64 -46.36 69.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.422 ' O ' HG23 ' A' ' 18' ' ' VAL . 17.8 mmt180 -43.6 -60.91 1.56 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -62.32 -36.56 82.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.837 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.0 -52.61 63.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.982 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.7 mt -64.16 -55.11 24.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.957 0.408 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.916 HG21 ' HD3' ' A' ' 36' ' ' ARG . 90.8 t -50.64 -37.78 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.079 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -50.43 -45.75 56.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.969 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.91 -51.47 47.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.064 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -41.94 -60.09 1.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.817 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -39.83 -45.19 1.75 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -66.71 -44.51 81.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.769 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.6 mt -55.72 -60.08 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.94 163.39 0.13 Allowed Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.68 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.0 p -117.44 46.53 1.69 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.974 0.416 . . . . 0.0 110.94 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 tttm -68.52 -61.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' A' ' 28' ' ' GLU . 1.9 pm0 -90.66 -38.26 13.21 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.929 0.395 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.409 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -99.93 146.39 26.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.529 ' HG2' ' CE2' ' A' ' 133' ' ' PHE . 11.6 tptm -103.09 91.62 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.92 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.531 HG12 HG22 ' A' ' 131' ' ' VAL . 25.8 mt -111.05 129.08 66.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -96.6 85.29 3.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.948 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -58.11 179.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.784 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.407 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 20.2 t -122.42 151.06 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -43.46 165.83 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.916 ' HD3' HG21 ' A' ' 18' ' ' VAL . 10.4 mtm105 -76.84 -41.45 44.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -79.49 11.93 2.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.813 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.531 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 1.8 m-80 -116.27 2.71 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.454 ' CD2' ' HA ' ' A' ' 36' ' ' ARG . 20.0 m-85 -83.55 5.23 24.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.531 ' CE1' ' HA ' ' A' ' 38' ' ' ASN . 3.5 p-80 -50.18 118.99 3.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.765 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.652 ' O ' ' HB1' ' A' ' 6' ' ' ALA . 45.7 mt -56.57 125.15 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.266 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.1 m -76.74 115.24 16.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.972 0.415 . . . . 0.0 111.157 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -84.3 -59.67 2.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.707 ' HB3' HD11 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -131.73 127.53 37.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.828 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -100.55 121.54 41.76 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.734 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.681 ' HB2' HD11 ' A' ' 49' ' ' ILE . 7.3 mt -101.24 -63.37 1.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.132 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 100.92 -127.37 9.23 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.44 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -62.81 122.72 16.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.068 0.461 . . . . 0.0 110.764 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.935 HD12 ' HB3' ' A' ' 3' ' ' ALA . 50.3 mt -145.68 147.44 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.2 p -89.09 142.79 27.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.991 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -46.25 -28.16 1.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.691 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -75.15 -70.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.793 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.498 ' O ' HD12 ' A' ' 57' ' ' ILE . 65.1 mt-30 -44.45 -28.32 0.55 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.047 0.451 . . . . 0.0 111.099 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 56' ' ' GLU . . . -48.09 -67.35 0.28 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.025 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -43.27 -24.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.752 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 54' ' ' ALA . 5.0 tp10 -69.21 -63.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.813 ' H ' HD12 ' A' ' 57' ' ' ILE . 3.9 mp -36.88 -40.61 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.307 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.489 ' HE2' HD23 ' A' ' 162' ' ' LEU . 0.0 OUTLIER -56.66 -61.98 2.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.106 179.747 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -45.48 -56.62 4.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 76.6 mt -45.75 -52.88 2.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.05 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.597 HD21 HD13 ' A' ' 5' ' ' ILE . 20.4 mt -57.15 -58.1 9.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 61' ' ' LEU . 4.1 tp10 -36.55 -30.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.979 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 61' ' ' LEU . 75.0 mttt -85.57 -58.88 2.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.409 ' HA ' ' CD ' ' A' ' 67' ' ' LYS . 77.9 mt -50.47 -50.33 21.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.73 -10.87 2.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.051 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 66' ' ' LYS . 1.3 tmtp? -104.47 -41.57 5.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.409 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 4.3 ptmt -65.65 -18.54 65.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.487 ' CG ' HG12 ' A' ' 103' ' ' ILE . 45.3 m-85 -103.67 158.31 16.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -95.55 -175.95 3.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.78 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.478 ' HB3' ' CG2' ' A' ' 156' ' ' ILE . 0.3 OUTLIER -113.12 101.68 9.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.937 0.398 . . . . 0.0 110.869 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.465 ' CB ' HG13 ' A' ' 99' ' ' ILE . 21.4 t60 -98.76 143.99 28.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.77 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -86.83 110.92 20.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.5 m -104.75 173.28 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.203 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.421 ' O ' HG13 ' A' ' 94' ' ' VAL . 8.2 t30 -124.32 159.98 29.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.987 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 p -127.06 103.93 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.289 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 6.4 ttt180 -150.85 143.2 24.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.768 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.437 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 103.03 145.62 15.75 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.727 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 88.9 mt -138.14 134.8 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.816 0.341 . . . . 0.0 111.187 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.572 ' HA3' ' CZ2' ' A' ' 91' ' ' TRP . . . -111.33 158.17 14.51 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.676 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.9 m -127.4 164.89 27.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.814 0.34 . . . . 0.0 111.189 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.61 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 11.5 m-85 -151.95 149.26 23.11 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.462 0.649 . . . . 0.0 110.968 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 53.8 Cg_endo -69.78 -30.29 5.23 Favored 'Cis proline' 0 C--O 1.229 0.064 0 C-N-CA 122.591 -1.837 . . . . 0.0 112.297 0.042 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.78 161.51 29.24 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.693 0.759 . . . . 0.0 110.819 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -48.16 -65.11 0.18 Allowed 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.636 2.224 . . . . 0.0 112.462 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -42.35 -30.14 0.31 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -133.81 92.03 2.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.082 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 80.4 t -86.92 131.14 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -123.67 -42.31 2.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.799 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.404 HG22 ' HG2' ' A' ' 130' ' ' ARG . 91.2 t -133.92 122.69 42.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.928 0.394 . . . . 0.0 111.169 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 73.8 mt -87.14 123.25 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.195 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.61 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 58.3 p-90 -137.47 136.26 37.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.05 161.47 15.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.87 151.41 17.07 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.555 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 74' ' ' ASN . 88.5 t -104.92 149.92 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.891 0.376 . . . . 0.0 111.234 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.514 ' O ' ' C ' ' A' ' 96' ' ' ASN . 12.5 mm-40 -71.06 -176.06 1.31 Allowed 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.514 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.6 OUTLIER -28.86 115.37 0.09 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.814 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 95' ' ' GLU . 63.4 m-20 -129.35 29.76 5.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.766 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -40.77 -50.63 3.14 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.813 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.465 HG13 ' CB ' ' A' ' 71' ' ' HIS . 39.6 mm -54.27 -53.72 27.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.056 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.1 mt -60.77 -26.78 39.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.074 0.464 . . . . 0.0 111.227 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.401 ' HG2' ' CD1' ' A' ' 122' ' ' PHE . 30.1 mtmt -71.68 -58.6 3.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.835 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.473 ' HE3' ' CD1' ' A' ' 68' ' ' TYR . 10.2 pttt -53.72 -38.34 64.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.848 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.487 HG12 ' CG ' ' A' ' 68' ' ' TYR . 95.2 mt -67.23 -42.91 88.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.086 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.516 ' HA ' HD12 ' A' ' 107' ' ' ILE . . . -57.84 -36.86 72.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.093 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.1 tttp -65.82 -46.3 79.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.764 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -60.42 -47.25 86.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.759 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 104' ' ' ALA . 55.3 mt -51.2 -40.41 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 109' ' ' ASP . 4.4 t0 -77.84 -53.84 7.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.908 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 108' ' ' ASP . 7.0 t70 -34.78 -51.27 0.49 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.94 -47.96 70.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.663 HD23 HD12 ' A' ' 114' ' ' LEU . 51.3 mt -52.01 -44.86 64.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 111' ' ' LEU . . . -34.68 -38.66 0.08 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.887 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -65.84 -46.75 77.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.938 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.663 HD12 HD23 ' A' ' 111' ' ' LEU . 33.3 mt -65.2 -26.78 68.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.04 0.447 . . . . 0.0 110.933 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 121.47 66.38 0.25 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.631 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.558 ' CD2' ' HB3' ' A' ' 111' ' ' LEU . 96.7 m-85 -141.07 152.79 45.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.995 0.426 . . . . 0.0 110.753 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -76.52 159.35 30.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.781 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.404 ' HE2' ' HB2' ' A' ' 112' ' ' ALA . 16.0 mttm -109.18 109.6 20.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.862 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -100.07 83.6 2.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.945 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.92 -48.34 57.87 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.447 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -70.76 101.99 2.22 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.676 0.274 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.534 ' HE1' ' HB2' ' A' ' 124' ' ' ALA . 2.7 t80 -99.23 133.86 42.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 20.6 t -137.03 106.38 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.186 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.534 ' HB2' ' HE1' ' A' ' 122' ' ' PHE . . . -76.34 104.22 6.75 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -140.1 168.97 18.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.554 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.6 mp -139.78 105.78 2.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.025 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 91.3 m -64.3 106.72 1.16 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.032 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 72.0 mt -69.92 -39.59 76.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.052 0.453 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -178.6 -162.09 27.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.404 ' HG2' HG22 ' A' ' 89' ' ' VAL . 33.6 mtm180 -141.44 144.32 34.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.919 0.39 . . . . 0.0 110.874 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.531 HG22 HG12 ' A' ' 31' ' ' ILE . 61.6 t -90.18 115.02 28.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.206 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -82.69 -55.96 4.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.786 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.529 ' CE2' ' HG2' ' A' ' 30' ' ' LYS . 35.5 p90 -157.03 122.75 4.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.5 p -124.32 150.01 28.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -105.75 -43.44 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.04 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -84.69 107.0 16.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.044 0.449 . . . . 0.0 111.066 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -74.76 -64.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.829 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 37.6 mt -39.47 -48.4 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.959 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -42.99 -46.65 6.23 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.392 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 20.9 mt -50.18 -63.23 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 111.004 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.26 -52.38 65.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.215 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.4 mmt -51.56 -29.0 15.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -81.88 -54.46 5.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.014 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 57.7 mt -39.1 -58.56 1.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -38.47 -54.81 1.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.817 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -55.42 -42.71 74.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.851 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.9 mp -101.44 34.43 2.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -94.8 -35.9 11.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.217 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 150' ' ' GLU . 0.7 OUTLIER -116.43 -13.37 10.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.909 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 149' ' ' ASN . 2.8 tt0 -35.96 113.33 0.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -72.72 143.62 47.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.811 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -111.02 -37.35 5.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 138.06 -161.1 25.53 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.563 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 62.8 m -141.41 171.05 14.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.948 0.404 . . . . 0.0 111.001 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -172.52 162.86 5.33 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.478 ' CG2' ' HB3' ' A' ' 70' ' ' LYS . 85.2 mt -109.58 127.22 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.189 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.84 HG22 HG21 ' A' ' 7' ' ' ILE . 66.8 t -78.91 89.96 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.996 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.428 ' HA ' ' CG ' ' A' ' 70' ' ' LYS . 3.4 mt-10 -98.56 -67.19 0.86 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.966 0.412 . . . . 0.0 110.778 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.775 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -88.2 169.99 11.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 89.4 mt -134.58 142.84 39.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -121.86 131.12 53.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.007 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.51 ' HB2' HG22 ' A' ' 5' ' ' ILE . 17.6 tp -112.29 128.65 56.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.083 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 8.0 tttm -129.3 146.98 51.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.926 0.393 . . . . 0.0 110.983 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -107.14 168.47 9.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.764 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 14.4 m -145.29 126.82 15.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 90.3 m -134.96 100.73 4.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.201 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 32.3 mt -72.02 132.74 44.68 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 66.7 p -136.63 155.98 76.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.632 0.73 . . . . 0.0 111.163 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -48.09 -31.54 16.59 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.795 2.33 . . . . 0.0 112.2 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -27.87 37.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.053 0.454 . . . . 0.0 110.834 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 152.94 171.12 20.0 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.475 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 172' ' ' PRO . . . . . 0.453 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 55.6 Cg_endo -69.73 130.95 20.27 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.736 2.291 . . . . 0.0 112.518 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 46.6 mm -101.6 127.58 54.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -125.75 126.39 44.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 176' ' ' THR . 5.7 tp10 -156.29 149.01 23.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.854 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.426 ' N ' ' HG3' ' A' ' 175' ' ' GLU . 5.3 m -82.63 150.89 26.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.127 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 36.4 mt -117.61 -39.25 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -150.69 130.75 13.46 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.218 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -125.96 110.34 13.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.031 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.775 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 22.1 m-85 -101.28 99.05 9.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.945 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.427 ' CE ' ' HB2' ' A' ' 54' ' ' ALA . 6.9 ptt? . . . . . 0 N--CA 1.454 -0.233 0 CA-C-O 121.031 0.443 . . . . 0.0 110.746 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -85.36 87.04 7.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.762 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.796 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -86.69 146.23 26.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.143 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.559 ' CD1' ' O ' ' A' ' 4' ' ' PHE . 6.4 p90 -167.39 135.98 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.796 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.613 HD11 ' HB3' ' A' ' 44' ' ' LYS . 42.3 pt -88.94 139.89 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.07 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -137.3 173.01 12.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.048 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.674 HD11 HD12 ' A' ' 43' ' ' LEU . 66.3 mt -115.49 122.05 68.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.168 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -50.35 136.0 20.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.79 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.454 HG23 ' HG3' ' A' ' 14' ' ' ARG . 4.1 m -115.97 86.62 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.159 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -42.91 165.44 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -46.09 -42.04 13.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.74 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.2 p -41.01 -35.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.792 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.593 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 41.9 t -97.38 -58.34 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.118 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.454 ' HG3' HG23 ' A' ' 9' ' ' VAL . 40.6 mtt180 -38.54 -69.66 0.12 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.824 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -50.07 -35.52 25.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.849 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -57.85 -62.96 1.43 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.826 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.517 HD23 ' CE1' ' A' ' 152' ' ' PHE . 93.6 mt -57.01 -43.07 81.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.745 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.416 HG21 ' CZ ' ' A' ' 36' ' ' ARG . 93.4 t -62.7 -34.38 65.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.2 tpt85 -58.2 -48.86 79.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.767 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.55 -52.93 63.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.167 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -44.53 -53.14 7.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -45.73 -43.29 12.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.714 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -70.74 -28.16 64.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.95 0.405 . . . . 0.0 110.979 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.4 mt -70.19 -60.3 2.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.228 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.6 151.97 0.41 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.386 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.3 p -117.58 52.58 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.96 0.41 . . . . 0.0 110.937 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -92.96 -54.6 3.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.471 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -86.42 -38.5 17.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.471 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -100.15 171.98 7.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.5 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 2.4 tmtm? -125.89 94.74 4.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.47 HG12 HG22 ' A' ' 131' ' ' VAL . 21.6 mt -122.38 134.1 66.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -101.31 82.93 2.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -56.79 166.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.462 HG12 ' CB ' ' A' ' 38' ' ' ASN . 25.0 t -105.27 145.91 12.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.28 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -38.59 155.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.957 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 5.5 ttt85 -65.66 -42.15 91.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.71 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -81.33 15.71 1.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.99 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.462 ' CB ' HG12 ' A' ' 34' ' ' VAL . 2.7 m120 -120.05 11.39 11.68 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' A' ' 36' ' ' ARG . 22.7 m-85 -89.94 7.78 35.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.66 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -55.21 128.69 35.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.957 0.408 . . . . 0.0 110.778 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.3 mt -63.83 117.31 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.06 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 44.7 m -74.69 104.13 5.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.205 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.674 HD12 HD11 ' A' ' 7' ' ' ILE . 5.2 tt -75.64 -53.41 8.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.613 ' HB3' HD11 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -138.73 124.17 19.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.048 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -93.55 133.81 36.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.524 ' CB ' HD11 ' A' ' 49' ' ' ILE . 8.6 mt -114.77 -67.34 1.0 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.38 -129.68 9.98 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.432 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -64.58 129.0 38.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 110.981 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.796 HD12 ' HB3' ' A' ' 3' ' ' ALA . 14.7 mt -150.32 153.64 10.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 52' ' ' GLU . 44.6 p -104.6 133.11 50.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' THR . 28.0 tt0 -37.12 -28.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.764 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 50' ' ' THR . 19.8 mt-10 -71.27 -48.67 49.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.982 0.42 . . . . 0.0 111.111 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' THR . 66.5 mm-40 -74.26 -35.46 63.78 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.074 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.427 ' HB2' ' CE ' ' A' ' 1' ' ' MET . . . -47.88 -55.66 9.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -55.06 -15.68 2.31 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -77.9 -53.05 7.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.665 HG13 HD21 ' A' ' 111' ' ' LEU . 1.7 mp -42.34 -54.0 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.186 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.591 ' HE2' ' HB2' ' A' ' 178' ' ' ALA . 68.4 mttt -36.33 -70.55 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 58' ' ' LYS . 44.1 mttm -33.94 -67.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.981 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 85.8 mt -40.42 -53.72 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.222 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.4 mt -54.05 -50.8 65.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.787 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -56.86 -28.51 61.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.737 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -85.67 -19.63 30.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.8 mt -92.26 -62.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.52 -17.02 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.152 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -30.12 19.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.02 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -84.9 -11.84 54.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -110.96 158.12 19.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -103.18 -178.24 3.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.46 ' HB2' ' CG2' ' A' ' 156' ' ' ILE . 0.0 OUTLIER -111.04 109.91 20.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.961 179.764 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.16 172.76 7.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.753 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -109.41 95.41 5.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.9 m -106.28 160.77 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.013 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.493 ' ND2' ' CB ' ' A' ' 95' ' ' GLU . 6.2 p30 -118.47 160.27 22.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.633 HG13 ' HB2' ' A' ' 152' ' ' PHE . 1.6 p -113.5 94.32 3.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.015 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -138.49 138.87 38.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.15 131.94 6.83 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.344 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.509 HD12 ' HB3' ' A' ' 147' ' ' LEU . 62.3 mt -126.57 145.46 34.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.952 0.406 . . . . 0.0 111.08 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.19 173.51 15.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.416 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.425 HG21 ' HA ' ' A' ' 84' ' ' PRO . 32.7 m -139.05 171.7 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.882 0.373 . . . . 0.0 111.18 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.637 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 10.1 m-85 -157.79 149.54 17.14 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.608 0.718 . . . . 0.0 111.047 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.4 Cg_endo -69.88 -22.27 9.84 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.733 -1.778 . . . . 0.0 112.469 0.174 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 86' ' ' TYR . 0.5 OUTLIER -162.93 162.52 18.26 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.738 0.78 . . . . 0.0 110.83 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.425 ' HA ' HG21 ' A' ' 80' ' ' VAL . 67.2 Cg_exo -47.77 -63.73 0.29 Allowed 'Trans proline' 0 CA--C 1.527 0.128 0 C-N-CA 122.796 2.331 . . . . 0.0 112.276 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 84' ' ' PRO . 11.6 m-20 -37.8 -38.29 0.28 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 83' ' ' ASN . 4.1 t80 -131.89 100.72 5.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.3 t -93.71 130.15 43.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -126.43 -31.33 2.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.694 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 79.6 t -138.2 121.0 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 84.6 mt -91.56 118.52 37.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.131 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.637 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 28.9 p-90 -129.95 135.44 48.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.986 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -89.19 156.43 18.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.963 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.04 154.42 17.69 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.314 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 74' ' ' ASN . 84.4 t -107.25 147.3 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.619 0.247 . . . . 0.0 111.225 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' A' ' 96' ' ' ASN . 17.3 mm-40 -70.65 -176.25 1.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.751 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.528 ' C ' ' O ' ' A' ' 95' ' ' GLU . 9.5 p-10 -25.31 108.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.037 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.699 ' HB2' HD12 ' A' ' 100' ' ' ILE . 2.6 p30 -128.68 37.05 4.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 101' ' ' LYS . 9.0 tt0 -37.19 -71.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 98' ' ' GLU . 10.1 mm -35.24 -55.29 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.04 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.699 HD12 ' HB2' ' A' ' 97' ' ' ASP . 62.1 mt -55.53 -39.31 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.188 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 98' ' ' GLU . 6.6 mtmp? -67.52 -64.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.423 ' CE ' HD13 ' A' ' 99' ' ' ILE . 14.2 ptpt -47.0 -28.07 1.51 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.959 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.431 HD12 HG22 ' A' ' 99' ' ' ILE . 94.9 mt -80.89 -46.35 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.09 0.471 . . . . 0.0 111.376 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.31 -39.5 64.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.032 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 106' ' ' GLU . 5.3 ptmm? -73.05 -34.2 66.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.825 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' ' 105' ' ' LYS . 29.1 tp10 -68.76 -44.1 74.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.649 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.9 mt -63.84 -30.88 51.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.077 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.41 ' CG ' ' HA ' ' A' ' 118' ' ' LYS . 4.8 t0 -77.16 -39.31 49.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.013 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -57.04 -35.24 69.06 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -83.05 -50.08 8.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.815 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.834 HD23 HD12 ' A' ' 114' ' ' LEU . 74.7 mt -56.65 -41.42 77.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.44 -40.84 1.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.038 0.446 . . . . 0.0 111.131 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -65.5 -38.32 89.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.71 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.834 HD12 HD23 ' A' ' 111' ' ' LEU . 76.8 mt -65.57 -27.26 68.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 122.36 48.76 0.26 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.396 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -130.67 148.87 52.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.944 0.402 . . . . 0.0 110.772 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -67.08 157.11 34.37 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.828 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.41 ' HA ' ' CG ' ' A' ' 108' ' ' ASP . 1.4 ttmp? -121.38 127.5 51.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -100.0 116.08 31.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.776 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -46.61 -72.91 0.34 Allowed Glycine 0 C--O 1.228 -0.224 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.387 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.51 127.22 44.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.662 0.268 . . . . 0.0 110.996 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -97.27 151.6 19.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 57.4 t -140.46 117.12 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.977 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.6 106.49 9.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.97 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.547 ' C ' HD12 ' A' ' 126' ' ' ILE . 6.5 p80 -143.67 168.05 20.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.015 0.436 . . . . 0.0 110.758 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.578 ' N ' HD12 ' A' ' 126' ' ' ILE . 3.3 mp -141.12 106.36 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 83.4 m -62.79 112.56 2.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 86.8 mt -72.66 -38.65 67.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.785 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 177.46 -166.84 37.53 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.555 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -129.37 139.08 51.82 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.747 0.308 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.47 HG22 HG12 ' A' ' 31' ' ' ILE . 62.3 t -90.74 111.86 24.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.019 0.438 . . . . 0.0 111.072 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -84.03 -55.67 4.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.01 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 133' ' ' PHE . 2.2 p90 -154.19 138.72 16.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.947 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.457 HG21 HD21 ' A' ' 140' ' ' LEU . 2.1 p -133.77 153.14 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.132 0.491 . . . . 0.0 111.019 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -109.01 -49.45 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.819 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -82.86 115.26 21.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -60.48 2.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.418 HD22 ' CE ' ' A' ' 142' ' ' MET . 38.0 mt -42.34 -53.85 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -38.28 -43.75 1.51 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.526 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.457 HD21 HG21 ' A' ' 134' ' ' VAL . 22.3 mt -59.4 -63.28 1.36 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.901 0.381 . . . . 0.0 110.815 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -60.66 -58.37 8.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.012 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.418 ' CE ' HD22 ' A' ' 138' ' ' LEU . 8.9 mmt -37.31 -44.66 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.083 0.468 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 146' ' ' GLU . 11.4 mttp -72.32 -62.46 1.43 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.756 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 42.4 mt -40.58 -42.45 1.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.057 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.41 ' HD3' ' C ' ' A' ' 145' ' ' LYS . 11.4 tmtt? -61.04 -39.49 90.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 143' ' ' LYS . 80.3 mm-40 -76.87 -53.23 8.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.975 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.509 ' HB3' HD12 ' A' ' 78' ' ' ILE . 3.1 mp -71.17 -6.26 38.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 144' ' ' LEU . . . -65.23 -33.92 77.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 150' ' ' GLU . 14.0 m120 -115.72 -23.2 8.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.929 0.395 . . . . 0.0 110.771 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 149' ' ' ASN . 6.1 tt0 -38.39 107.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.025 0.441 . . . . 0.0 110.808 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -65.92 145.69 55.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.633 ' HB2' HG13 ' A' ' 75' ' ' VAL . 64.1 m-85 -108.0 -32.31 7.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.688 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 139.89 -163.73 26.2 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.537 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 23.7 p -145.53 164.69 30.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.794 0.331 . . . . 0.0 110.884 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -170.45 165.07 8.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.46 ' CG2' ' HB2' ' A' ' 70' ' ' LYS . 96.6 mt -112.07 129.51 67.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 85.6 t -81.69 99.74 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.181 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -95.94 -73.66 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.766 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.612 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -97.32 177.43 5.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.109 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 83.2 mt -129.51 143.11 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.303 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -119.13 125.02 48.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.019 0.438 . . . . 0.0 110.89 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 163' ' ' LYS . 4.7 tp -106.99 120.93 43.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 163' ' ' LYS . . . . . 0.59 ' N ' HD12 ' A' ' 162' ' ' LEU . 50.3 mttt -125.82 153.08 44.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.01 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.448 ' HD2' HD21 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -114.72 172.2 7.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.503 ' OG ' ' CZ ' ' A' ' 174' ' ' TYR . 1.7 m -137.11 121.81 18.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 97.1 m -129.13 99.51 5.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.009 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 9.6 mt -65.95 133.24 50.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 44.2 p -137.64 155.36 75.21 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.391 0.615 . . . . 0.0 111.204 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -47.67 -32.94 17.45 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.827 2.352 . . . . 0.0 112.244 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -79.93 -26.17 40.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 149.11 173.4 19.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.607 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.55 129.43 17.82 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.339 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 49.8 mm -101.24 128.8 53.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 174' ' ' TYR . . . . . 0.503 ' CZ ' ' OG ' ' A' ' 165' ' ' SER . 4.4 m-85 -129.03 120.99 26.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 164' ' ' LYS . 30.5 tt0 -151.6 159.67 43.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.805 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.403 HG21 ' HG3' ' A' ' 179' ' ' ARG . 8.5 m -85.0 146.45 27.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.193 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.448 HD21 ' HD2' ' A' ' 164' ' ' LYS . 21.7 mt -110.77 -34.23 6.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.969 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.591 ' HB2' ' HE2' ' A' ' 58' ' ' LYS . . . -149.06 149.26 30.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.15 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 179' ' ' ARG . . . . . 0.403 ' HG3' HG21 ' A' ' 176' ' ' THR . 0.0 OUTLIER -139.68 108.59 5.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.749 -179.696 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.612 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 88.6 m-85 -99.4 100.6 11.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.822 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.059 0.457 . . . . 0.0 110.736 -179.928 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 ptt? . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.879 0.371 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.37 111.95 20.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.839 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.63 160.93 13.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -171.57 133.87 0.81 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.041 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.44 HD11 ' HB3' ' A' ' 44' ' ' LYS . 8.2 pt -98.87 115.75 40.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.089 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.485 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -115.09 166.37 11.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.562 HG21 HG22 ' A' ' 157' ' ' VAL . 36.3 mt -109.06 123.21 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.196 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -50.95 128.4 21.2 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.059 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 m -104.8 90.36 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.959 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 t -44.33 169.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.712 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -51.63 -40.6 60.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.807 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.8 p -43.09 -35.16 1.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 56.1 t -96.26 -52.1 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.274 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -46.23 -68.16 0.22 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -48.4 -40.96 27.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.455 ' HB1' ' HA ' ' A' ' 152' ' ' PHE . . . -57.19 -57.16 13.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.6 mt -59.69 -47.07 87.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.017 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.3 t -57.45 -41.79 79.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.281 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -49.01 -45.68 42.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.686 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.67 -50.93 65.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.056 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -45.69 -57.1 4.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -41.89 -38.41 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -75.06 -40.28 60.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.048 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.467 HG23 ' HD3' ' A' ' 143' ' ' LYS . 53.4 mt -52.25 -57.15 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.15 160.26 0.37 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.536 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.2 p -123.07 44.59 2.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.799 0.333 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -79.13 -61.43 2.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.62 -52.89 7.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.804 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.79 149.9 22.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.218 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -103.82 109.04 20.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.926 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.421 HG12 HG22 ' A' ' 131' ' ' VAL . 17.2 mt -126.41 129.01 71.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.136 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -89.64 88.66 7.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -56.13 174.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.0 0.429 . . . . 0.0 111.045 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 128' ' ' LEU . 58.0 t -119.06 147.12 22.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -40.95 161.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.843 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.3 mtt85 -72.68 -43.59 62.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.953 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -83.34 21.37 1.16 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.044 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -122.94 4.11 9.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.05 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.432 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 24.1 m-85 -84.66 6.0 25.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.485 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 2.4 p-80 -49.9 141.05 11.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.4 mt -79.17 119.04 27.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.6 m -70.29 105.88 3.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.953 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.588 ' O ' HD23 ' A' ' 43' ' ' LEU . 4.6 tt -68.82 -44.05 74.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.44 ' HB3' HD11 ' A' ' 5' ' ' ILE . 9.1 tmtt? -162.35 125.65 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -86.47 131.41 34.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.966 0.412 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.669 ' HB3' HD11 ' A' ' 49' ' ' ILE . 21.4 mt -102.57 -60.37 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.757 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.6 -132.51 11.05 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.332 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -63.4 132.09 50.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.85 0.357 . . . . 0.0 110.993 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.669 HD11 ' HB3' ' A' ' 46' ' ' LEU . 15.2 mt -155.39 144.11 12.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.412 ' C ' ' N ' ' A' ' 52' ' ' GLU . 47.8 p -87.87 137.84 31.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.229 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -43.67 -22.84 0.06 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 50' ' ' THR . 14.0 mt-10 -77.94 -61.47 1.99 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.618 ' O ' HD12 ' A' ' 57' ' ' ILE . 21.7 mt-30 -59.33 -25.84 64.52 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.087 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.98 -51.19 10.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -62.57 -32.39 73.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -57.56 -51.74 68.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.723 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.746 ' H ' HD12 ' A' ' 57' ' ' ILE . 4.0 mp -51.64 -54.64 11.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.171 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.456 ' HE3' ' CB ' ' A' ' 178' ' ' ALA . 42.1 mtpt -36.27 -71.42 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.7 mmtp -37.25 -58.2 0.83 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.765 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.496 HG22 HD12 ' A' ' 64' ' ' ILE . 76.7 mt -43.94 -42.7 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.6 mt -74.31 -58.73 3.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.855 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -43.88 -38.63 3.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.943 0.402 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -77.98 -66.12 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.496 HD12 HG22 ' A' ' 60' ' ' ILE . 70.2 mt -41.04 -69.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.987 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.429 ' HB2' ' CD1' ' A' ' 160' ' ' ILE . . . -36.03 -34.73 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.061 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 64' ' ' ILE . 25.4 tptp -79.78 -45.14 19.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.701 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 64' ' ' ILE . 10.2 ptpt -56.35 -14.33 2.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.005 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.494 ' HE1' HG23 ' A' ' 64' ' ' ILE . 54.0 m-85 -103.08 172.4 6.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.943 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -109.09 144.88 36.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.448 ' CD ' ' HA ' ' A' ' 158' ' ' GLU . 20.0 mmtm -61.37 110.02 1.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.581 ' O ' HG23 ' A' ' 156' ' ' ILE . 10.4 t60 -99.41 155.77 17.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.999 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -112.13 103.63 11.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.94 0.4 . . . . 0.0 110.762 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 29.3 m -106.0 167.87 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.497 ' OD1' ' N ' ' A' ' 75' ' ' VAL . 2.6 t-20 -121.88 159.37 26.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.739 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.4 p -120.29 114.07 42.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 28.5 ttt180 -164.99 147.22 8.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.858 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.419 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 95.99 137.67 9.39 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.691 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 91' ' ' TRP . 65.7 mt -131.81 136.03 57.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.735 0.303 . . . . 0.0 111.208 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -112.62 169.77 13.17 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.448 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.9 m -139.47 160.65 28.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.832 0.349 . . . . 0.0 111.174 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.594 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 11.2 m-85 -145.41 152.1 49.06 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.867 0.841 . . . . 0.0 110.773 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.3 Cg_endo -69.73 -22.28 9.7 Favored 'Cis proline' 0 C--N 1.343 0.257 0 C-N-CA 122.763 -1.766 . . . . 0.0 112.379 0.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -166.12 163.08 12.17 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.808 0.813 . . . . 0.0 110.82 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 85' ' ' ASN . 65.0 Cg_exo -47.85 -63.29 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' PRO . 6.2 m120 -37.94 -37.97 0.28 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -133.88 99.38 4.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 54.3 t -89.63 130.65 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.259 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -124.94 -39.48 2.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.1 t -134.22 122.32 40.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.15 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 82.2 mt -89.87 130.02 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.594 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 30.3 p-90 -144.66 146.3 32.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -95.62 164.29 12.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.96 149.53 17.0 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.372 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.4 t -100.31 146.94 8.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.781 0.324 . . . . 0.0 111.128 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' A' ' 96' ' ' ASN . 48.2 mm-40 -71.68 -176.61 1.66 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.503 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.5 OUTLIER -29.61 99.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -123.06 54.02 1.27 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.804 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -68.81 -42.96 76.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.948 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.554 HG21 ' HB2' ' A' ' 71' ' ' HIS . 10.1 mm -61.45 -33.01 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.023 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.426 HD11 HG21 ' A' ' 157' ' ' VAL . 58.7 mt -78.38 -19.43 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.089 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -75.15 -70.95 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.789 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.435 ' NZ ' ' HB3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -38.15 -39.88 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.0 mt -64.07 -59.09 4.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.156 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -49.79 -35.8 23.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.004 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -71.42 -38.15 71.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.715 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -67.06 -49.48 64.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.758 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 66.8 mt -52.57 -40.66 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 111' ' ' LEU . 12.9 t70 -73.78 -54.89 7.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.06 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 108' ' ' ASP . 1.7 m-20 -37.04 -47.94 0.76 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -67.94 -41.64 82.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.036 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.902 HD23 HD12 ' A' ' 114' ' ' LEU . 38.3 mt -60.91 -38.74 86.77 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.949 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -38.91 -34.6 0.16 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.009 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -76.18 -39.65 54.32 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.786 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.902 HD12 HD23 ' A' ' 111' ' ' LEU . 55.9 mt -66.67 -26.31 66.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.959 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 123.91 61.6 0.19 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.42 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.551 ' CE1' HD22 ' A' ' 111' ' ' LEU . 89.7 m-85 -140.05 162.13 35.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.028 0.442 . . . . 0.0 110.697 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -79.02 156.54 28.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.017 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.82 118.26 36.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.785 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -98.71 104.92 17.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.837 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.06 -73.87 0.38 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.352 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -93.41 124.73 37.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.042 0.449 . . . . 0.0 110.903 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -99.72 152.55 19.97 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 93.9 t -138.6 132.58 41.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.39 98.18 9.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.184 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.425 ' C ' HD12 ' A' ' 126' ' ' ILE . 10.2 p80 -132.72 164.69 26.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.647 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.616 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.7 mp -136.99 106.7 4.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 99.7 m -64.85 112.14 3.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.965 0.412 . . . . 0.0 111.241 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.525 ' O ' HG23 ' A' ' 34' ' ' VAL . 47.0 mt -74.43 -41.41 60.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.975 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -175.24 -168.97 36.49 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.546 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -132.84 149.36 52.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.81 0.338 . . . . 0.0 110.81 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.421 HG22 HG12 ' A' ' 31' ' ' ILE . 80.5 t -97.9 113.17 31.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.31 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.61 -57.02 3.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -156.36 132.1 9.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.478 ' CG2' ' N ' ' A' ' 135' ' ' LYS . 1.7 p -131.99 157.31 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.232 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.478 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 46.0 tttt -107.21 -40.7 5.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.19 108.89 20.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.095 0.474 . . . . 0.0 110.819 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -69.48 -59.23 3.12 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.8 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 33.6 mt -41.37 -59.18 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -37.85 -35.3 0.23 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.449 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 67.0 mt -56.06 -56.4 21.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.63 0.252 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -74.92 -51.76 12.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.093 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 31.8 mmt -39.63 -37.81 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.467 ' HD3' HG23 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -68.03 -50.59 54.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 39.9 mt -42.18 -62.52 0.92 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.722 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 21.1 mmtm -38.91 -43.36 0.95 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.982 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -67.49 -43.84 79.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.038 0.447 . . . . 0.0 110.996 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.3 mp -98.78 34.48 2.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.668 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -100.41 -32.48 10.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 150' ' ' GLU . 23.8 p30 -109.11 -30.62 7.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 149' ' ' ASN . 9.3 mt-10 -35.42 122.31 0.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.814 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -83.77 162.8 20.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.739 ' HB2' HG13 ' A' ' 75' ' ' VAL . 63.3 m-85 -125.08 -36.92 2.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 137.12 -164.29 25.29 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.513 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 17.8 m -145.81 164.56 31.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.026 0.441 . . . . 0.0 110.864 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -166.33 173.88 9.62 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.855 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 71' ' ' HIS . 57.4 mt -115.98 131.52 68.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.562 HG22 HG21 ' A' ' 7' ' ' ILE . 95.6 t -86.74 98.36 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.978 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.448 ' HA ' ' CD ' ' A' ' 70' ' ' LYS . 14.6 mp0 -99.99 -70.65 0.73 Allowed 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.775 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -86.46 176.1 8.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.165 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' ILE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 65' ' ' ALA . 85.0 mt -137.32 150.75 26.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.042 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -119.66 133.35 55.68 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.07 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 49.1 tp -115.89 101.68 9.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.053 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -105.58 166.27 10.57 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.971 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.605 ' HG2' HD21 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -125.64 176.42 6.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.044 0.45 . . . . 0.0 110.683 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 29.4 t -145.32 130.05 18.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.725 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 32.3 m -141.95 105.18 4.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.043 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.88 134.08 41.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 68.7 p -135.19 155.85 78.58 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.355 0.598 . . . . 0.0 111.355 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -48.13 -32.31 18.55 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.834 2.356 . . . . 0.0 112.259 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -80.42 -26.81 38.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.973 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 151.25 175.39 23.04 Favored Glycine 0 C--N 1.328 0.139 0 C-N-CA 120.839 -0.695 . . . . 0.0 112.419 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 136.3 32.54 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.564 2.176 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 47.9 mm -108.4 119.86 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.276 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -117.38 115.28 24.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -143.18 162.21 36.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.402 HG21 ' HG3' ' A' ' 179' ' ' ARG . 3.3 m -92.77 148.35 22.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.062 0.458 . . . . 0.0 110.967 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.605 HD21 ' HG2' ' A' ' 164' ' ' LYS . 20.0 mt -110.16 -37.01 5.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.958 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.456 ' CB ' ' HE3' ' A' ' 58' ' ' LYS . . . -156.51 141.21 16.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.025 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 179' ' ' ARG . . . . . 0.428 ' HD3' ' N ' ' A' ' 179' ' ' ARG . 1.1 mpp_? -127.64 105.02 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.775 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 10.2 m-85 -92.33 98.27 11.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.8 ptt? . . . . . 0 N--CA 1.456 -0.139 0 CA-C-O 120.657 0.265 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -76.54 75.68 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.749 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.778 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -68.72 149.14 49.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.285 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.493 ' O ' HD12 ' A' ' 162' ' ' LEU . 45.0 p90 -163.73 131.99 3.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.966 0.412 . . . . 0.0 110.704 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.841 HD11 ' HB3' ' A' ' 44' ' ' LYS . 32.5 pt -87.41 140.68 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -145.18 165.42 28.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.8 mt -109.5 136.69 44.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.224 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.93 132.93 55.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.752 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.427 HG23 ' HG3' ' A' ' 14' ' ' ARG . 3.0 m -109.86 91.4 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 t -44.62 168.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.616 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -52.73 -33.84 49.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.039 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.6 p -47.89 -35.04 9.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.0 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 96.7 t -96.78 -58.2 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.112 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.731 ' O ' HG23 ' A' ' 18' ' ' VAL . 77.7 mtt180 -40.71 -61.04 1.01 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.866 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -55.68 -42.57 75.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.48 -62.81 1.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.4 mt -52.22 -40.41 61.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.743 HG21 ' HD3' ' A' ' 36' ' ' ARG . 98.0 t -61.2 -40.21 85.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.023 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.7 ttt85 -53.41 -45.42 69.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.676 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.53 -51.7 68.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 24' ' ' ILE . 18.8 mt-30 -46.25 -60.9 2.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -40.35 -38.92 0.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.805 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.534 ' CD2' HD11 ' A' ' 147' ' ' LEU . 48.5 t80 -77.1 -32.94 56.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.974 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.481 ' N ' ' O ' ' A' ' 21' ' ' GLN . 69.1 mt -67.63 -62.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.21 164.31 0.17 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.473 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.4 p -114.97 39.77 2.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.072 0.463 . . . . 0.0 110.961 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -58.91 -64.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.719 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -92.83 -41.7 9.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.44 146.9 25.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.989 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.583 ' HG3' ' CZ ' ' A' ' 133' ' ' PHE . 1.7 mmmp? -104.62 116.64 32.4 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.746 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.715 HG12 HG22 ' A' ' 131' ' ' VAL . 35.9 mt -135.26 121.94 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.089 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -83.32 81.11 8.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.938 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -56.98 162.68 2.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.981 0.419 . . . . 0.0 110.791 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.513 HG12 ' N ' ' A' ' 35' ' ' GLU . 22.0 t -104.81 160.78 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.184 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.513 ' N ' HG12 ' A' ' 34' ' ' VAL . 58.8 mm-40 -51.62 165.99 0.15 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.743 ' HD3' HG21 ' A' ' 18' ' ' VAL . 7.0 mtt85 -74.28 -41.73 60.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.2 pm0 -87.3 26.44 1.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.948 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -126.61 6.98 6.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -87.59 6.45 34.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -48.34 117.85 2.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.479 HG12 HD11 ' A' ' 126' ' ' ILE . 56.6 mt -54.73 125.01 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.317 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.1 m -78.83 102.7 8.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.013 0.435 . . . . 0.0 111.024 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.66 ' O ' HD23 ' A' ' 43' ' ' LEU . 4.6 tt -64.53 -39.43 93.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.841 ' HB3' HD11 ' A' ' 5' ' ' ILE . 19.8 tttm -166.09 140.12 4.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.682 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -96.08 140.0 31.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.5 mt -110.84 -64.18 1.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.014 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.55 -134.9 12.51 Favored Glycine 0 C--O 1.227 -0.315 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.33 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -66.11 133.99 51.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.71 0.291 . . . . 0.0 111.034 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.778 HD12 ' HB3' ' A' ' 3' ' ' ALA . 11.9 mt -152.96 146.52 14.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.054 0.454 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.7 p -95.5 144.63 25.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.285 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -47.47 -28.66 2.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -71.94 -64.87 0.85 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.446 ' O ' HD12 ' A' ' 57' ' ' ILE . 78.0 mm-40 -51.19 -24.1 3.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.06 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.47 ' HA ' HD13 ' A' ' 57' ' ' ILE . . . -52.61 -39.19 61.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.119 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -65.52 -19.8 66.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.988 0.423 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.534 ' HG2' HD21 ' A' ' 114' ' ' LEU . 4.6 tp10 -77.33 -58.27 3.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.964 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.796 ' H ' HD12 ' A' ' 57' ' ' ILE . 3.9 mp -39.23 -61.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.711 ' HE2' ' HB2' ' A' ' 178' ' ' ALA . 92.0 mttt -34.53 -72.21 0.06 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.03 0.443 . . . . 0.0 111.075 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' LYS . 63.1 mmtt -34.31 -54.18 0.51 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.041 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 67.7 mt -51.24 -52.56 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.219 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.9 mt -60.07 -56.93 15.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -46.93 -40.23 13.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.788 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -71.5 -52.99 15.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.561 HD13 ' HB3' ' A' ' 106' ' ' GLU . 65.6 mt -61.89 -65.35 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.521 ' HB2' HD12 ' A' ' 160' ' ' ILE . . . -43.08 -21.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.16 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' ILE . 3.5 tppp? -91.74 -50.63 5.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.061 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.487 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 7.9 ptmt -58.32 -13.89 6.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.827 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.45 ' CE2' HG23 ' A' ' 64' ' ' ILE . 46.2 m-85 -107.61 163.99 12.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.93 176.29 5.2 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.754 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -114.84 104.56 12.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.096 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.626 ' O ' HG23 ' A' ' 156' ' ' ILE . 10.3 t-80 -93.64 173.01 7.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -106.98 109.99 22.02 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 20.7 m -110.12 172.06 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.311 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.507 ' OD1' ' N ' ' A' ' 75' ' ' VAL . 2.0 t-20 -120.73 165.34 15.24 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.916 0.389 . . . . 0.0 110.838 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.507 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 1.8 p -129.61 109.3 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.104 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.405 ' C ' ' HD3' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -156.89 146.14 20.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.889 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.74 145.56 14.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.374 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.8 mt -138.77 130.23 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.911 0.386 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.418 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -113.38 164.52 12.04 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.385 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.67 177.35 7.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 120.678 0.275 . . . . 0.0 111.242 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.576 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 10.6 m-85 -162.22 147.49 10.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.791 0.805 . . . . 0.0 110.763 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 52.5 Cg_endo -69.91 -29.65 5.63 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.797 -1.751 . . . . 0.0 112.207 0.213 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.57 160.18 30.89 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.597 0.713 . . . . 0.0 110.861 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -47.67 -61.93 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.85 2.367 . . . . 0.0 112.365 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -38.94 -36.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -134.72 89.26 2.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 78.0 t -82.14 133.38 29.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -127.79 -35.13 2.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 76.2 t -135.48 116.51 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.672 ' CD1' HD13 ' A' ' 31' ' ' ILE . 71.9 mt -87.15 127.71 40.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.576 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 41.5 p-90 -142.78 145.87 33.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.985 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.41 165.01 12.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.038 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.96 155.25 17.84 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.592 -0.814 . . . . 0.0 112.601 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 71.3 t -110.63 148.39 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.703 0.287 . . . . 0.0 111.057 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.518 ' O ' ' C ' ' A' ' 96' ' ' ASN . 34.3 mm-40 -71.01 -176.39 1.37 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.004 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.518 ' C ' ' O ' ' A' ' 95' ' ' GLU . 10.4 p-10 -27.73 113.42 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -129.99 38.15 3.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -49.54 -47.76 48.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.478 HD13 ' HE2' ' A' ' 102' ' ' LYS . 18.7 mm -58.15 -51.39 71.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.265 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 100' ' ' ILE . 53.7 mt -64.45 -12.79 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.151 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.452 ' HG3' ' CD1' ' A' ' 122' ' ' PHE . 14.9 ttmt -85.61 -62.45 1.52 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.478 ' HE2' HD13 ' A' ' 99' ' ' ILE . 9.1 pttt -50.78 -26.26 5.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.964 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.429 HG12 ' CG ' ' A' ' 68' ' ' TYR . 91.6 mt -78.07 -51.31 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.993 0.425 . . . . 0.0 111.24 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.53 -38.13 43.02 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.268 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -65.84 -42.36 90.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.561 ' HB3' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -61.7 -53.54 54.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.77 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 59.2 mt -48.8 -35.1 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.037 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 110' ' ' GLU . 4.2 t0 -79.99 -56.62 4.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.901 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 108' ' ' ASP . 5.7 t70 -34.14 -35.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.739 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 108' ' ' ASP . 59.6 mm-40 -83.19 -51.63 7.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.73 HD23 HD12 ' A' ' 114' ' ' LEU . 59.2 mt -52.58 -44.04 65.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 111' ' ' LEU . . . -36.37 -39.73 0.2 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 113' ' ' LYS . 8.6 tmtt? -66.73 -43.42 84.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.73 HD12 HD23 ' A' ' 111' ' ' LEU . 23.3 mt -67.27 -28.34 67.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.732 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 120.99 65.32 0.25 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.379 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.504 ' CE1' HD22 ' A' ' 111' ' ' LEU . 81.3 m-85 -137.25 154.74 50.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.839 0.352 . . . . 0.0 111.042 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -82.37 136.15 35.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -109.69 129.65 55.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -99.54 123.12 43.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.933 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.14 -67.52 2.08 Favored Glycine 0 C--N 1.329 0.177 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.393 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -87.2 133.36 33.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.452 ' CD1' ' HG3' ' A' ' 101' ' ' LYS . 2.0 t80 -99.51 133.12 44.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 5.2 t -127.79 120.24 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.243 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.79 98.69 11.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.127 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.489 ' C ' HD12 ' A' ' 126' ' ' ILE . 4.1 p-80 -135.23 164.64 27.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 126' ' ' ILE . 3.7 mp -135.89 107.41 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 90.6 m -61.26 116.66 4.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.29 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 48.8 mt -81.08 -36.34 30.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.026 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 173.09 -177.88 45.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.513 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -118.17 144.28 45.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.948 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.715 HG22 HG12 ' A' ' 31' ' ' ILE . 94.8 t -91.35 127.33 43.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.226 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -90.69 -58.33 2.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.583 ' CZ ' ' HG3' ' A' ' 30' ' ' LYS . 36.8 p90 -164.38 133.74 3.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.792 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.657 HG11 HD21 ' A' ' 140' ' ' LEU . 2.0 p -129.02 154.16 39.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.415 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 18.9 tptp -107.75 -42.84 4.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.991 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -77.44 105.34 8.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -69.83 -62.02 1.55 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 32.1 mt -44.72 -48.2 10.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.97 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -46.43 -42.97 14.18 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.332 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.657 HD21 HG11 ' A' ' 134' ' ' VAL . 93.9 mt -48.37 -60.77 2.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.784 0.326 . . . . 0.0 110.868 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -68.27 -53.24 25.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.049 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 8.1 mmt -41.99 -40.7 2.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.788 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.43 ' HA ' ' CD ' ' A' ' 146' ' ' GLU . 13.8 ttmt -71.02 -38.92 72.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.539 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 62.7 mt -56.44 -40.18 74.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -64.64 -62.05 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.763 ' HG3' HD13 ' A' ' 147' ' ' LEU . 5.8 pt-20 -52.34 -31.41 33.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.002 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.763 HD13 ' HG3' ' A' ' 146' ' ' GLU . 10.3 mp -108.33 37.83 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 144' ' ' LEU . . . -105.6 -38.84 6.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.112 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -105.38 -21.45 13.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.719 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -39.97 106.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.786 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -70.42 154.55 41.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.753 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.425 ' HB2' HG13 ' A' ' 75' ' ' VAL . 40.9 m-85 -117.25 -29.44 5.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.867 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 131.68 -163.62 23.71 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.327 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 18.3 p -144.22 168.2 20.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.052 0.453 . . . . 0.0 110.883 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -169.08 159.65 9.32 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.012 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.626 HG23 ' O ' ' A' ' 71' ' ' HIS . 60.2 mt -107.28 131.94 56.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.107 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 63.0 t -73.11 100.04 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.049 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -99.63 -71.48 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.405 ' CB ' ' HA ' ' A' ' 181' ' ' GLU . . . -99.18 155.17 17.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.03 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 160' ' ' ILE . . . . . 0.521 HD12 ' HB2' ' A' ' 65' ' ' ALA . 97.3 mt -116.09 146.44 20.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.067 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -128.28 139.9 52.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.146 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 4' ' ' PHE . 12.1 tp -121.91 123.04 40.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.926 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -123.26 162.15 23.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.534 ' HB3' HD11 ' A' ' 177' ' ' LEU . 7.7 pttp -125.13 149.01 48.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 40.8 t -117.89 132.53 56.41 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 96.8 m -142.71 105.97 4.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 15.5 mt -75.87 132.75 40.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.033 0.444 . . . . 0.0 110.777 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 76.7 p -135.1 155.4 79.06 Favored Pre-proline 0 N--CA 1.453 -0.286 0 CA-C-O 121.419 0.628 . . . . 0.0 111.318 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.98 -32.1 17.3 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.752 2.301 . . . . 0.0 112.205 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -80.22 -26.52 39.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 151.16 173.67 21.32 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.47 -0.871 . . . . 0.0 112.447 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.59 130.66 19.95 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.559 2.173 . . . . 0.0 112.497 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 39.0 mm -102.83 129.51 54.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.986 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -131.54 107.32 8.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.021 0.439 . . . . 0.0 110.971 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -134.68 150.23 50.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.667 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 29.5 m -77.51 151.32 34.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' A' ' 164' ' ' LYS . 26.1 mt -115.6 -41.5 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.711 ' HB2' ' HE2' ' A' ' 58' ' ' LYS . . . -160.16 145.45 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.998 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 179' ' ' ARG . . . . . 0.434 ' HD3' ' N ' ' A' ' 179' ' ' ARG . 0.0 OUTLIER -141.91 134.71 28.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -116.07 99.17 7.06 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 181' ' ' GLU . . . . . 0.405 ' HA ' ' CB ' ' A' ' 159' ' ' ALA . 14.1 tt0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.49 ' CG ' ' O ' ' A' ' 1' ' ' MET . 8.0 ttt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.05 0.452 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.3 mtt85 -63.99 91.3 0.07 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.867 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -88.63 153.46 21.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.25 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -168.03 146.07 4.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.8 pt -97.65 154.6 3.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.661 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -148.45 160.48 43.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.997 HG21 HG22 ' A' ' 157' ' ' VAL . 75.8 mt -104.69 106.08 19.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.046 0.45 . . . . 0.0 111.052 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -35.45 139.75 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.467 HG23 ' HG3' ' A' ' 14' ' ' ARG . 2.7 m -122.32 88.79 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -43.68 161.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' HA ' ' NH1' ' A' ' 14' ' ' ARG . 11.7 pt-20 -44.27 -35.34 2.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.5 t -43.09 -37.0 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.432 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 86.0 t -98.03 -60.28 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.346 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.584 ' O ' HG23 ' A' ' 18' ' ' VAL . 9.3 mtm105 -41.08 -56.03 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -53.96 -33.52 57.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -68.36 -60.19 2.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.1 mt -51.15 -43.26 61.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 14' ' ' ARG . 94.9 t -60.25 -41.89 88.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.965 0.412 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -50.46 -43.03 55.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.43 -48.46 72.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.944 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.787 ' HA ' HD12 ' A' ' 24' ' ' ILE . 22.2 mt-30 -48.37 -58.51 4.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.99 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -42.45 -42.07 3.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -70.41 -49.37 49.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.787 HD12 ' HA ' ' A' ' 21' ' ' GLN . 77.6 mt -41.46 -52.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.51 129.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.353 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.6 p -104.87 51.72 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.008 0.432 . . . . 0.0 110.927 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -102.17 -36.41 8.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.472 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 30.3 mm-40 -95.92 -57.67 2.3 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.776 0.322 . . . . 0.0 110.817 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.407 ' CB ' ' HB ' ' A' ' 134' ' ' VAL . . . -97.32 133.69 41.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.019 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -81.43 111.76 18.07 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.004 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.519 HG12 HG22 ' A' ' 131' ' ' VAL . 9.9 mt -133.91 125.46 48.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.237 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -91.51 85.07 5.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.026 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.51 ' CD1' ' OE1' ' A' ' 21' ' ' GLN . 19.8 m-85 -56.76 173.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.8 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.6 t -118.27 153.1 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.077 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -46.05 170.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -80.04 -41.06 26.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.044 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -83.15 18.85 1.58 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.655 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -124.52 15.11 8.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.793 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -96.64 9.23 42.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.661 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 5.2 p-80 -57.41 128.91 39.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.951 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.6 mt -60.18 115.33 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.245 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.5 m -69.2 89.34 0.45 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.234 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.454 ' O ' ' CE1' ' A' ' 122' ' ' PHE . 5.5 tt -49.52 -54.18 19.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.793 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.455 ' HD2' ' CD2' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -152.92 152.43 31.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -99.96 148.58 24.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.455 ' CD2' ' HD2' ' A' ' 44' ' ' LYS . 14.7 mt -116.45 -60.17 1.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.74 -138.02 13.65 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -73.87 130.45 39.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 111.02 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.867 HD12 ' HB3' ' A' ' 3' ' ' ALA . 25.2 mt -139.79 148.52 22.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.956 0.408 . . . . 0.0 111.253 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.0 p -96.97 142.8 28.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.97 0.414 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -41.72 -38.76 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.764 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -62.28 -46.43 88.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -72.24 -31.43 65.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.684 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -39.82 -33.28 0.19 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -78.84 -37.17 41.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.665 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 53' ' ' GLN . 4.7 mm-40 -59.95 -47.71 84.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.019 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 57' ' ' ILE . 1.5 mp -52.71 -51.6 34.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.091 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.568 ' HE2' ' HB2' ' A' ' 178' ' ' ALA . 5.1 mtpm? -59.09 -48.88 79.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -53.82 -55.17 28.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.764 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.9 mt -48.05 -53.12 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.995 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.0 mt -53.35 -50.14 65.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -44.04 -45.03 7.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.054 0.454 . . . . 0.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -68.83 -52.31 31.31 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.952 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.521 HG21 HG23 ' A' ' 103' ' ' ILE . 81.4 mt -59.14 -65.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.155 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -42.98 -28.27 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.192 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -87.03 -35.23 18.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.552 ' HD2' ' CE2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -72.01 -16.13 62.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.808 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.562 ' CD2' HG12 ' A' ' 103' ' ' ILE . 49.1 m-85 -109.01 171.16 7.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.064 0.459 . . . . 0.0 110.833 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -118.91 173.95 6.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.447 ' HB2' ' CG2' ' A' ' 156' ' ' ILE . 10.2 ptpp? -98.24 111.15 23.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.856 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.411 ' O ' HG23 ' A' ' 156' ' ' ILE . 52.2 t60 -99.54 169.28 9.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.009 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -105.13 99.28 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.173 0.511 . . . . 0.0 110.749 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.6 m -100.42 161.84 3.33 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.906 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -115.33 156.89 24.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.825 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.479 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.6 p -123.79 112.59 33.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.184 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.468 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 14.1 ttt180 -162.33 148.52 13.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.845 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.468 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 95.65 140.73 11.18 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.393 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.533 HG23 ' O ' ' A' ' 91' ' ' TRP . 20.1 mt -140.04 126.0 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 111.061 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.09 172.82 18.44 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.577 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.5 m -138.48 163.62 28.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.891 0.377 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.7 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 11.6 m-85 -145.7 154.65 52.24 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.681 0.753 . . . . 0.0 110.703 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 53.9 Cg_endo -69.68 -17.26 11.91 Favored 'Cis proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.748 -1.772 . . . . 0.0 112.407 0.026 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -171.27 161.09 5.27 Favored Pre-proline 0 C--O 1.233 0.201 0 CA-C-O 121.503 0.668 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -48.28 -58.24 1.87 Allowed 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.751 2.301 . . . . 0.0 112.176 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -39.65 -40.04 0.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -134.33 94.72 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.1 t -85.24 127.2 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.222 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -124.27 -33.73 3.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.725 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 74.3 t -135.89 122.67 33.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.214 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 66.8 mt -93.46 135.61 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.7 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 37.1 p-90 -152.62 144.75 23.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.017 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.58 169.66 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.76 151.86 17.41 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 76.1 t -104.88 144.16 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.772 0.32 . . . . 0.0 111.241 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 96' ' ' ASN . 40.2 mm-40 -72.7 -176.56 2.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.042 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.495 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -30.38 100.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.41 ' HB2' HD12 ' A' ' 100' ' ' ILE . 10.7 p-10 -119.63 42.36 2.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.9 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -45.34 -57.11 4.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.9 mm -48.51 -59.82 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.14 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.41 HD12 ' HB2' ' A' ' 97' ' ' ASP . 33.7 mt -44.03 -51.51 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -50.7 -54.5 22.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.949 0.404 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -50.6 -53.69 28.67 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.619 HG22 ' CD1' ' A' ' 107' ' ' ILE . 64.4 mt -59.65 -39.13 78.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.79 -33.74 72.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.209 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -80.58 -37.5 31.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -67.3 -43.0 82.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.619 ' CD1' HG22 ' A' ' 103' ' ' ILE . 63.5 mt -61.56 -48.85 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.188 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 109' ' ' ASP . 12.3 t0 -70.41 -55.03 10.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.745 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 108' ' ' ASP . 0.1 OUTLIER -36.55 -48.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.973 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -67.43 -49.5 63.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.822 HD23 HD12 ' A' ' 114' ' ' LEU . 33.4 mt -58.11 -26.67 62.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.58 -22.32 3.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.057 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -83.74 -41.19 17.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.822 HD12 HD23 ' A' ' 111' ' ' LEU . 66.5 mt -67.92 -24.14 65.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.858 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 121.18 63.3 0.24 Allowed Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.312 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -138.9 146.61 41.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.929 0.395 . . . . 0.0 110.853 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -67.71 148.78 50.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -113.79 123.3 49.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.999 0.428 . . . . 0.0 110.733 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -99.55 112.44 24.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -54.08 -71.4 0.71 Allowed Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.593 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -90.72 116.22 28.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.833 0.349 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.454 ' CE1' ' O ' ' A' ' 43' ' ' LEU . 40.4 t80 -98.04 147.4 24.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.014 0.435 . . . . 0.0 110.813 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 58.0 t -135.37 128.47 48.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.129 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -85.47 102.96 13.92 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -139.76 163.68 31.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.031 0.443 . . . . 0.0 110.801 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.581 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.6 mp -137.25 109.52 7.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.349 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 91.2 m -66.65 116.42 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.247 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.6 mt -80.7 -34.41 34.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 174.99 -176.5 47.14 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.413 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 48.8 mtt85 -122.02 146.59 47.02 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 110.769 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.519 HG22 HG12 ' A' ' 31' ' ' ILE . 68.7 t -97.47 125.03 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -93.71 -57.89 2.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -157.34 137.31 12.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.737 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' A' ' 135' ' ' LYS . 1.5 p -133.47 154.36 38.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.067 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.443 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 2.5 mptm? -104.75 -36.83 7.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.056 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -90.12 117.91 29.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.029 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -83.03 -68.23 0.72 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.899 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 31.4 mt -38.29 -56.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -39.36 -42.4 1.8 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.448 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 92.0 mt -46.76 -58.68 3.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.642 0.258 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -71.87 -59.18 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.253 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 13.6 mmt -40.93 -38.07 0.9 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.143 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -72.45 -58.37 3.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 50.7 mt -47.52 -38.1 13.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -51.93 -38.61 57.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.748 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -73.88 -41.65 61.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.646 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 147' ' ' LEU . 1.9 mp -85.89 8.29 20.81 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.987 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -87.06 -23.4 24.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -121.0 -19.61 7.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -53.11 104.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -65.21 157.17 29.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.668 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.479 ' HB2' HG13 ' A' ' 75' ' ' VAL . 43.5 m-85 -117.49 -32.0 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 134.24 -155.59 21.95 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.6 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 32.7 p -147.02 173.28 12.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.774 0.321 . . . . 0.0 111.003 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -173.8 170.37 3.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.137 0.494 . . . . 0.0 110.616 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.447 ' CG2' ' HB2' ' A' ' 70' ' ' LYS . 58.0 mt -121.25 136.72 57.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.047 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.997 HG22 HG21 ' A' ' 7' ' ' ILE . 53.4 t -83.11 101.81 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 -97.73 -70.26 0.73 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.183 0.516 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.901 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -99.0 179.35 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.058 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 160' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 161' ' ' GLU . 66.2 mt -134.4 155.25 38.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.191 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.47 ' N ' HG22 ' A' ' 160' ' ' ILE . 27.9 tt0 -131.13 138.37 49.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 11.1 tp -120.23 124.9 46.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.787 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -125.01 173.21 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.726 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.633 ' HE2' HD21 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -123.57 171.33 9.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.033 179.757 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 39.2 t -144.78 121.69 11.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 88.8 m -137.08 105.04 5.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 12.2 mt -74.78 139.47 43.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 10.9 p -143.25 155.88 61.31 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.631 0.729 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -47.76 -35.52 23.94 Favored 'Trans proline' 0 CA--C 1.527 0.126 0 C-N-CA 122.685 2.256 . . . . 0.0 112.295 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -79.87 -21.94 43.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 145.44 172.82 16.14 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.38 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 172' ' ' PRO . . . . . 0.456 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 53.1 Cg_endo -69.7 144.13 53.35 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.855 2.37 . . . . 0.0 112.252 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 27.4 mm -116.69 123.03 71.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -118.84 126.25 51.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.828 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -147.64 147.69 30.28 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.716 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.415 HG21 ' HG3' ' A' ' 179' ' ' ARG . 9.1 m -80.53 142.64 33.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.022 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.633 HD21 ' HE2' ' A' ' 164' ' ' LYS . 19.1 mt -109.62 -36.3 5.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.927 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.568 ' HB2' ' HE2' ' A' ' 58' ' ' LYS . . . -155.59 144.85 20.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.034 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 179' ' ' ARG . . . . . 0.415 ' HG3' HG21 ' A' ' 176' ' ' THR . 72.6 mtm180 -137.26 111.84 8.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.761 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.901 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 55.3 m-85 -100.7 97.86 8.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.793 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.843 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 tpt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.792 0.33 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -79.21 64.46 4.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.548 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -63.58 143.95 57.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 163' ' ' LYS . 20.7 p90 -156.39 127.45 6.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.99 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.826 HD11 ' HB3' ' A' ' 44' ' ' LYS . 45.4 pt -85.16 142.74 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.08 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.738 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -142.96 162.04 36.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.225 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.74 HG21 HG22 ' A' ' 157' ' ' VAL . 63.8 mt -107.51 124.75 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.028 0.442 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.05 138.92 24.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.891 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.588 HG23 ' HG3' ' A' ' 14' ' ' ARG . 2.8 m -116.05 90.03 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.091 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 9' ' ' VAL . 37.1 t -37.66 156.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.961 0.41 . . . . 0.0 110.734 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -47.76 -26.13 1.49 Allowed 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.788 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.7 p -56.44 -35.64 68.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 37.2 t -94.18 -46.85 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.168 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.588 ' HG3' HG23 ' A' ' 9' ' ' VAL . 53.2 mtt180 -52.19 -53.79 38.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.759 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -64.96 -23.49 67.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.48 -58.2 3.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.13 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.8 mt -58.38 -46.27 86.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.805 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 14' ' ' ARG . 74.2 t -57.88 -40.8 77.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.082 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -51.08 -45.73 61.55 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.793 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.73 -44.06 97.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.279 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.536 ' OE1' ' CD1' ' A' ' 33' ' ' PHE . 23.3 mt-30 -53.05 -55.12 26.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.806 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -44.43 -38.91 4.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -77.21 -36.08 55.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.687 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 21' ' ' GLN . 96.5 mt -60.93 -60.18 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.85 166.28 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.383 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.8 m -119.84 50.83 1.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.981 0.42 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -54.78 -69.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.033 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -94.51 -34.69 12.59 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.799 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.51 162.62 18.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.5 ' HG2' ' CE2' ' A' ' 133' ' ' PHE . 57.3 tptt -124.42 93.14 3.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.8 mt -110.67 154.05 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.237 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -113.98 86.67 2.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.976 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.536 ' CD1' ' OE1' ' A' ' 21' ' ' GLN . 20.3 m-85 -58.34 167.41 1.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.097 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 35' ' ' GLU . 30.0 t -116.03 154.91 17.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.847 0.356 . . . . 0.0 111.17 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.422 ' N ' HG12 ' A' ' 34' ' ' VAL . 5.7 mm-40 -47.97 170.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -81.24 -43.22 19.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.813 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.24 13.81 1.74 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.053 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -118.32 8.62 12.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.451 ' O ' HG21 ' A' ' 126' ' ' ILE . 18.2 m-85 -91.95 9.81 31.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.135 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.738 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 1.4 p-80 -58.33 135.19 57.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.716 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 72.6 mt -68.07 107.09 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.984 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 m -58.52 88.08 0.01 OUTLIER 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.245 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.664 ' O ' HD23 ' A' ' 43' ' ' LEU . 3.9 tt -50.09 -41.24 47.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.954 0.407 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.826 ' HB3' HD11 ' A' ' 5' ' ' ILE . 26.6 tttm -167.62 145.34 4.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.816 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.446 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 36.6 t80 -98.9 133.67 42.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.97 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.467 ' HB3' HD11 ' A' ' 49' ' ' ILE . 64.4 mt -100.1 -63.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.029 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.08 -127.55 8.98 Favored Glycine 0 N--CA 1.454 -0.135 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.53 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -82.42 133.8 35.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.872 0.368 . . . . 0.0 111.074 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.604 HG22 ' N ' ' A' ' 50' ' ' THR . 51.0 mt -145.1 164.95 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.604 ' N ' HG22 ' A' ' 49' ' ' ILE . 55.1 p -104.75 132.24 51.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.867 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' THR . 16.1 tt0 -37.39 -30.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 50' ' ' THR . 5.6 mm-40 -75.01 -59.78 2.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 56' ' ' GLU . 34.5 mt-30 -55.05 -31.8 61.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -41.12 -51.2 3.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.004 0.431 . . . . 0.0 111.423 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -55.52 -33.29 63.64 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 53' ' ' GLN . 4.8 tp10 -62.37 -56.29 19.77 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.012 0.434 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.587 ' H ' HD12 ' A' ' 57' ' ' ILE . 2.7 mp -40.13 -43.18 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.125 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.495 ' HE3' ' N ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -62.46 -65.43 0.69 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.842 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -37.83 -45.23 0.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.019 0.438 . . . . 0.0 110.936 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 89.9 mt -60.05 -51.5 72.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.119 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.6 -37.61 79.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -56.83 -35.47 68.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.07 -58.79 2.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.689 HG21 HG23 ' A' ' 103' ' ' ILE . 48.8 mt -47.14 -61.08 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.084 0.469 . . . . 0.0 111.062 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.55 -17.88 0.36 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -102.26 -23.76 13.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.021 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.486 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 7.8 ptmt -81.16 -6.66 59.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.537 ' CD2' HG12 ' A' ' 103' ' ' ILE . 42.5 m-85 -114.45 163.24 15.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.016 0.436 . . . . 0.0 110.951 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 tppt? -98.47 150.66 21.43 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -77.81 98.64 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.735 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -97.34 155.52 16.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.004 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -105.74 115.41 30.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.6 m -111.15 165.1 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 75' ' ' VAL . 16.4 t-20 -116.22 155.52 28.17 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.847 HG13 ' HB2' ' A' ' 152' ' ' PHE . 3.8 p -119.26 105.29 17.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.231 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.495 ' NH2' ' CG ' ' A' ' 151' ' ' ASP . 16.1 ttm105 -150.94 146.78 26.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.043 0.449 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.74 147.55 22.69 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.4 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.547 HG23 ' O ' ' A' ' 91' ' ' TRP . 26.9 mt -138.58 134.53 43.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 120.865 0.365 . . . . 0.0 111.005 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.491 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -113.14 152.03 18.11 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.392 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.7 m -122.06 176.11 4.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.897 0.38 . . . . 0.0 111.18 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.744 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 11.5 m-85 -160.73 151.76 15.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.493 0.663 . . . . 0.0 110.769 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.4 Cg_endo -69.43 -21.22 10.03 Favored 'Cis proline' 0 C--O 1.233 0.227 0 C-N-CA 122.634 -1.819 . . . . 0.0 112.483 -0.323 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.45 ' CG ' ' C ' ' A' ' 82' ' ' PRO . 0.4 OUTLIER -164.39 160.63 16.09 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.594 0.712 . . . . 0.0 110.97 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -47.91 -60.03 1.03 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.658 2.239 . . . . 0.0 112.429 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -41.48 -37.38 1.06 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -133.33 97.0 3.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.141 0.496 . . . . 0.0 110.844 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.5 t -89.05 129.44 40.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.344 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -124.6 -34.82 2.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.693 HG22 ' HG3' ' A' ' 130' ' ' ARG . 85.1 t -134.82 116.66 21.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.071 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 69.8 mt -88.45 129.5 39.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.007 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.744 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 26.6 p-90 -145.59 144.04 30.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.945 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.14 161.98 15.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.07 143.77 15.03 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.445 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.416 ' CG1' ' OD2' ' A' ' 97' ' ' ASP . 88.6 t -102.35 151.05 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.956 0.408 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.487 ' O ' ' C ' ' A' ' 96' ' ' ASN . 4.3 mm-40 -71.27 -176.55 1.5 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.763 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.487 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.1 t30 -31.14 113.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.84 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.416 ' OD2' ' CG1' ' A' ' 94' ' ' VAL . 63.4 m-20 -121.22 30.9 6.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.705 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 97' ' ' ASP . 5.0 tp10 -35.8 -60.62 0.52 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 100' ' ' ILE . 10.7 mm -48.52 -71.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.071 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 99' ' ' ILE . 71.8 mt -33.95 -61.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.17 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -39.84 -48.75 2.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.066 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -54.35 -52.78 60.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.768 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.689 HG23 HG21 ' A' ' 64' ' ' ILE . 83.9 mt -58.91 -45.16 91.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.078 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.15 -31.57 63.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.14 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -85.11 -39.25 18.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.818 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.98 -43.17 99.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.82 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.518 HD11 HG22 ' A' ' 103' ' ' ILE . 63.3 mt -59.03 -45.64 92.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.017 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -71.45 -43.05 67.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -47.02 -32.84 4.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -86.84 -44.22 11.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.939 HD23 HD12 ' A' ' 114' ' ' LEU . 48.9 mt -60.89 -28.11 68.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.38 -33.41 5.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.239 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 113' ' ' LYS . 0.7 OUTLIER -79.24 -36.97 39.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.763 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.939 HD12 HD23 ' A' ' 111' ' ' LEU . 23.1 mt -70.43 -16.8 62.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.888 0.375 . . . . 0.0 111.018 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 115.59 54.98 0.36 Allowed Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.511 ' CG ' ' HB3' ' A' ' 111' ' ' LEU . 40.1 m-85 -136.5 171.48 14.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.027 0.442 . . . . 0.0 110.876 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -127.13 141.11 51.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -106.96 150.03 26.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.886 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 120' ' ' GLY . 6.5 tt0 -99.61 122.94 43.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.852 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 119' ' ' GLU . . . -38.36 -70.48 0.29 Allowed Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.353 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -99.29 128.23 45.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.095 0.474 . . . . 0.0 111.092 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -100.12 141.75 32.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 11.2 t -125.82 124.46 66.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.031 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.12 96.05 10.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -137.82 167.88 20.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.615 ' N ' HD12 ' A' ' 126' ' ' ILE . 1.3 mp -137.23 104.81 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.262 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 90.3 m -59.66 122.99 15.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.044 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 77.5 mt -88.48 -28.24 20.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 168.36 -175.94 42.9 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.386 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.693 ' HG3' HG22 ' A' ' 89' ' ' VAL . 1.6 mpp_? -125.6 145.22 50.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.987 0.422 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.9 t -92.73 122.01 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.072 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -91.69 -54.79 3.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.801 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.5 ' CE2' ' HG2' ' A' ' 30' ' ' LYS . 26.6 p90 -157.01 129.65 7.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.511 HG21 HD21 ' A' ' 140' ' ' LEU . 1.9 p -131.69 154.02 39.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.188 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.424 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 29.9 tptt -114.82 -40.31 3.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -79.45 88.02 5.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -61.74 -60.73 3.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.78 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 32.3 mt -44.98 -49.21 11.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.858 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -46.76 -45.13 18.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.657 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.511 HD21 HG21 ' A' ' 134' ' ' VAL . 84.4 mt -47.35 -63.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.63 -60.01 3.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.035 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.7 mmt -39.86 -35.8 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.781 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -71.56 -53.46 13.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.809 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 77.3 mt -40.67 -62.22 0.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.878 0.37 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -39.11 -41.29 0.8 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.973 0.416 . . . . 0.0 111.058 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -67.97 -45.72 73.38 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 4.8 mp -101.05 35.49 2.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -97.57 -35.85 10.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.224 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 150' ' ' GLU . 62.4 m-80 -110.69 -23.96 10.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.847 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 149' ' ' ASN . 6.7 tp10 -35.55 115.4 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ASP . . . . . 0.495 ' CG ' ' NH2' ' A' ' 76' ' ' ARG . 27.8 t70 -76.19 155.43 34.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.847 ' HB2' HG13 ' A' ' 75' ' ' VAL . 87.0 m-85 -117.23 -40.02 3.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.067 0.46 . . . . 0.0 110.973 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' GLY . . . . . 0.542 ' O ' HG12 ' A' ' 75' ' ' VAL . . . 139.78 -172.49 23.33 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.579 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 p -138.03 164.61 28.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.637 0.256 . . . . 0.0 110.851 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -169.77 178.84 3.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.674 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 87.3 mt -120.58 137.52 54.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.049 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.74 HG22 HG21 ' A' ' 7' ' ' ILE . 72.0 t -86.01 91.16 3.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -97.78 -70.71 0.71 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -85.93 143.54 28.14 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 97.3 mt -115.16 150.38 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.938 0.399 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.444 ' CG ' ' HG3' ' A' ' 179' ' ' ARG . 3.2 mt-10 -132.9 138.59 47.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.987 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.5 HD12 ' O ' ' A' ' 4' ' ' PHE . 14.7 tp -119.75 115.15 23.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.022 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 163' ' ' LYS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -113.71 140.98 47.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.57 ' CE ' HD21 ' A' ' 177' ' ' LEU . 10.1 pttt -113.04 148.94 34.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.015 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 10.4 p -119.47 135.7 54.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.928 0.394 . . . . 0.0 110.946 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 26.2 m -144.43 105.21 4.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.338 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 12.0 mt -73.55 132.53 42.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.937 0.399 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 71.0 p -133.48 155.25 80.85 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.668 0.747 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -47.69 -31.99 15.64 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.788 2.326 . . . . 0.0 112.231 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -80.2 -31.42 38.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.929 0.395 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 155.96 176.12 27.73 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.582 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.88 141.64 45.27 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 34.1 mm -118.49 115.29 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -118.56 102.7 9.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.762 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 176' ' ' THR . 4.1 tp10 -131.49 155.25 47.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.135 0.493 . . . . 0.0 110.723 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.445 ' N ' ' HG3' ' A' ' 175' ' ' GLU . 6.2 m -87.07 140.55 29.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.15 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.57 HD21 ' CE ' ' A' ' 164' ' ' LYS . 78.2 mt -103.23 -43.2 5.52 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.719 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -138.53 142.51 39.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.114 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 179' ' ' ARG . . . . . 0.444 ' HG3' ' CG ' ' A' ' 161' ' ' GLU . 39.8 ttp180 -141.07 107.27 5.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.763 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.421 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 25.8 m-85 -99.82 97.74 8.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.829 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.871 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.722 0.296 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 34.5 ttm-85 -88.96 76.21 7.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.698 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -82.85 151.67 25.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.075 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.506 ' O ' HD12 ' A' ' 162' ' ' LEU . 28.7 p90 -168.81 135.62 1.86 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.791 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.408 ' CG2' HD13 ' A' ' 162' ' ' LEU . 36.1 pt -85.04 147.42 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.504 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -140.1 163.22 33.29 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.148 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.76 HG21 HG22 ' A' ' 157' ' ' VAL . 55.0 mt -105.97 125.16 61.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.186 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.24 137.61 13.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.049 0.452 . . . . 0.0 110.677 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 10' ' ' SER . 2.8 m -117.15 85.87 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 9' ' ' VAL . 3.1 t -36.43 154.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.45 ' C ' ' OE1' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -42.39 -41.35 2.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.5 p -40.48 -41.67 1.47 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.736 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.489 HG21 ' CE1' ' A' ' 155' ' ' PHE . 76.2 t -85.22 -51.0 14.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.16 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.519 ' O ' HG23 ' A' ' 18' ' ' VAL . 98.3 mtt180 -47.91 -66.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.708 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -48.64 -39.58 24.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.74 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.94 -62.16 2.05 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 120.992 0.425 . . . . 0.0 111.194 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.9 mt -51.86 -42.75 62.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.994 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 14' ' ' ARG . 95.2 t -61.6 -40.59 87.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.203 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -52.4 -51.67 57.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.62 -52.01 63.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.117 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.507 ' HA ' HD12 ' A' ' 24' ' ' ILE . 16.7 mt-30 -45.53 -56.6 4.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -42.18 -43.68 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -72.82 -35.66 67.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.748 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' A' ' 21' ' ' GLN . 85.0 mt -61.57 -48.65 87.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.16 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.54 153.03 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.436 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.2 m -120.31 46.3 2.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.801 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.62 -55.61 3.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.439 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 2.0 pm0 -82.55 -44.09 16.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.018 0.437 . . . . 0.0 111.054 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.439 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -99.97 144.85 28.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.448 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 0.0 OUTLIER -96.56 87.29 4.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.734 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.691 HG12 HG22 ' A' ' 131' ' ' VAL . 45.5 mt -114.52 125.66 71.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -94.99 94.31 7.91 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.981 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.464 ' CD1' ' OE1' ' A' ' 21' ' ' GLN . 19.5 m-85 -59.63 176.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.578 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 21.2 t -120.18 149.58 22.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -43.07 160.22 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.444 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 61.8 mtt180 -71.46 -39.53 70.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -84.68 19.52 2.0 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.025 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -125.19 12.52 8.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 28.2 m-85 -93.72 7.36 45.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.01 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.504 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 5.7 p80 -56.95 126.53 27.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.933 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 70.1 mt -57.21 120.06 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.293 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.2 m -73.57 90.07 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -47.59 -62.3 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.533 ' HE2' HD12 ' A' ' 111' ' ' LEU . 34.5 tttp -142.93 149.03 37.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.459 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 51.9 t80 -96.2 136.41 36.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.062 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.765 ' HB3' HD11 ' A' ' 49' ' ' ILE . 15.2 mt -107.14 -57.67 2.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.828 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.51 -135.93 12.43 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.652 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -71.02 130.26 41.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.84 0.353 . . . . 0.0 111.082 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.765 HD11 ' HB3' ' A' ' 46' ' ' LEU . 17.9 mt -150.25 147.49 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 74.1 p -99.8 142.67 30.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -50.12 -28.99 8.13 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.744 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -70.31 -36.4 74.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -85.99 -28.84 23.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.15 -57.94 3.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.035 0.445 . . . . 0.0 111.203 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -44.35 -36.43 2.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.81 ' OE2' HD11 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -58.98 -63.19 1.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.878 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.747 ' H ' HD12 ' A' ' 57' ' ' ILE . 3.2 mp -37.32 -60.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.485 ' HE2' ' HB2' ' A' ' 178' ' ' ALA . 87.4 mttt -33.9 -69.67 0.09 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.066 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -42.64 -54.65 3.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.909 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.81 HD11 ' OE2' ' A' ' 56' ' ' GLU . 76.5 mt -43.89 -44.97 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.045 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.2 mt -71.13 -42.88 68.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.986 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -45.89 -57.25 4.5 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.452 ' NZ ' ' HB3' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -64.54 -45.88 85.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 66' ' ' LYS . 59.8 mt -58.73 -71.25 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -41.98 -24.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 64' ' ' ILE . 16.6 tppt? -82.04 -52.19 7.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -61.54 -12.32 14.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.007 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.531 ' CG ' HG12 ' A' ' 103' ' ' ILE . 52.2 m-85 -108.11 159.85 16.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.97 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.9 -178.39 3.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.049 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.7 pttm -118.51 112.76 20.33 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.859 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -96.79 174.46 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.981 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -108.22 100.65 9.94 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.8 m -103.32 171.08 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.433 ' HB3' ' CD ' ' A' ' 95' ' ' GLU . 9.3 t-20 -124.48 166.29 16.27 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.493 ' O ' HG22 ' A' ' 75' ' ' VAL . 1.4 p -125.74 92.56 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -139.92 133.65 30.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.48 142.33 9.58 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.447 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.3 mt -136.03 142.01 40.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.851 0.358 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.95 163.88 16.15 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.442 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.532 HG11 HD21 ' A' ' 144' ' ' LEU . 27.4 m -133.63 161.27 41.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.803 0.335 . . . . 0.0 111.23 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.692 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 13.1 m-85 -144.5 147.59 36.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.596 0.713 . . . . 0.0 110.801 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.1 Cg_endo -69.72 -35.28 2.75 Favored 'Cis proline' 0 C--N 1.34 0.101 0 C-N-CA 122.803 -1.749 . . . . 0.0 112.307 0.032 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -152.5 158.86 33.25 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.718 0.77 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.417 ' HA ' HG21 ' A' ' 80' ' ' VAL . 66.4 Cg_exo -47.92 -52.17 8.66 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.61 2.207 . . . . 0.0 112.306 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -43.12 -40.71 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.818 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -133.4 82.37 1.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.126 0.489 . . . . 0.0 110.931 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 82.9 t -74.88 128.97 37.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -122.28 -37.97 2.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.5 t -132.46 119.42 38.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.983 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 67.9 mt -87.19 129.22 39.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.331 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.692 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 40.4 p-90 -145.57 142.89 29.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.67 165.91 12.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -125.4 149.97 17.24 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.589 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 96.6 t -109.12 145.12 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.026 0.441 . . . . 0.0 110.884 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.521 ' O ' ' C ' ' A' ' 96' ' ' ASN . 3.9 pt-20 -71.93 -175.84 1.55 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.727 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.521 ' C ' ' O ' ' A' ' 95' ' ' GLU . 4.7 t-20 -27.58 103.48 0.02 OUTLIER 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.946 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -118.69 43.82 2.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.81 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -45.67 -66.18 0.44 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.778 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.405 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 41.0 mm -43.56 -65.25 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.15 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.6 mt -47.75 -30.37 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.244 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.5 ttpp -74.11 -65.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 99' ' ' ILE . 0.6 OUTLIER -44.42 -41.44 6.22 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.0 179.808 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.531 HG12 ' CG ' ' A' ' 68' ' ' TYR . 72.0 mt -65.28 -46.24 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.029 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.86 -41.75 64.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.989 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -68.79 -38.28 79.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -63.88 -46.72 83.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 41.2 mt -55.26 -38.69 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.428 ' OD2' ' NZ ' ' A' ' 44' ' ' LYS . 10.0 t0 -77.92 -34.73 51.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.935 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -47.46 -45.65 26.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.974 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -75.99 -51.83 11.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.049 0.452 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.732 HD23 HD12 ' A' ' 114' ' ' LEU . 25.0 mt -47.39 -41.49 20.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.04 -36.07 0.44 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.014 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -71.09 -37.95 72.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.732 HD12 HD23 ' A' ' 111' ' ' LEU . 39.4 mt -70.09 -28.12 65.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 119.27 56.64 0.26 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.428 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.441 ' CZ ' HD22 ' A' ' 111' ' ' LEU . 8.6 m-85 -122.93 168.09 12.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.974 0.416 . . . . 0.0 110.842 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -93.24 142.61 27.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -108.81 131.35 55.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.968 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -99.82 127.32 45.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -54.63 -69.02 1.38 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.533 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.14 139.54 33.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.794 0.33 . . . . 0.0 110.95 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.566 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 1.0 OUTLIER -98.98 138.49 36.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.003 179.777 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 18.2 t -132.26 122.01 47.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.218 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.25 99.91 11.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.094 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -135.2 164.9 26.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.98 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.603 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.5 mp -134.6 109.66 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.388 . . . . 0.0 111.122 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 88.0 m -66.95 113.88 5.32 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.018 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' ' 34' ' ' VAL . 65.4 mt -79.6 -36.82 37.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 174.08 169.03 35.79 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.466 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -108.05 152.71 24.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.795 0.331 . . . . 0.0 110.775 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.691 HG22 HG12 ' A' ' 31' ' ' ILE . 60.9 t -101.92 114.21 40.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.936 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -80.85 -54.56 5.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.803 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.448 ' CE2' ' HG3' ' A' ' 30' ' ' LYS . 7.0 p90 -161.31 138.9 9.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.501 HG22 ' N ' ' A' ' 135' ' ' LYS . 2.7 p -136.73 158.12 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.19 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.501 ' N ' HG22 ' A' ' 134' ' ' VAL . 31.9 mmtt -112.05 -45.44 3.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.822 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -71.46 112.33 7.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.044 0.45 . . . . 0.0 110.811 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -75.52 -58.67 3.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.077 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.437 ' C ' ' HG3' ' A' ' 142' ' ' MET . 25.0 mt -48.68 -54.54 14.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.704 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 138' ' ' LEU . . . -37.79 -39.36 0.6 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.627 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.416 HD21 HG11 ' A' ' 134' ' ' VAL . 58.7 mt -53.68 -50.83 64.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.485 ' HA ' HD12 ' A' ' 144' ' ' LEU . . . -81.06 -56.0 4.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.96 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.437 ' HG3' ' C ' ' A' ' 138' ' ' LEU . 2.1 mtt -39.99 -28.64 0.06 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.061 0.458 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 141' ' ' ALA . 6.8 ttmt -83.82 -53.78 5.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.993 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.532 HD21 HG11 ' A' ' 80' ' ' VAL . 46.6 mt -40.82 -47.59 2.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.987 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -41.17 69.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.671 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.448 ' C ' HD12 ' A' ' 147' ' ' LEU . 18.3 mm-40 -75.44 -31.71 60.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.448 HD12 ' C ' ' A' ' 146' ' ' GLU . 7.2 mp -112.56 32.72 5.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 144' ' ' LEU . . . -86.92 -46.27 10.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.31 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -134.03 27.98 3.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.763 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.597 ' OE2' ' CE2' ' A' ' 152' ' ' PHE . 0.0 OUTLIER -61.26 142.86 56.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -85.26 144.88 27.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.597 ' CE2' ' OE2' ' A' ' 150' ' ' GLU . 42.8 m-85 -125.89 -32.83 2.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 153' ' ' GLY . . . . . 0.411 ' O ' ' ND2' ' A' ' 74' ' ' ASN . . . 137.08 -173.55 22.13 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.548 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 32.1 p -138.44 166.16 24.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.789 0.328 . . . . 0.0 111.035 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' PHE . . . . . 0.489 ' CE1' HG21 ' A' ' 13' ' ' VAL . 53.8 p90 -166.25 166.29 16.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.767 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 92.3 mt -113.36 120.96 64.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.76 HG22 HG21 ' A' ' 7' ' ' ILE . 96.1 t -68.11 94.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -90.85 -72.67 0.56 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.108 0.48 . . . . 0.0 110.8 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.819 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -97.31 166.81 11.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 160' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 161' ' ' GLU . 97.1 mt -116.43 158.84 16.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.528 ' N ' HG22 ' A' ' 160' ' ' ILE . 0.7 OUTLIER -141.79 125.39 16.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.927 179.868 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.506 HD12 ' O ' ' A' ' 4' ' ' PHE . 17.8 tp -108.0 131.27 54.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.037 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -122.38 154.85 37.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.843 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -117.84 129.57 55.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.904 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 28.7 t -113.61 126.72 55.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.105 0.478 . . . . 0.0 110.772 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 79.8 m -134.23 105.29 6.56 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.179 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 10.1 mt -70.34 134.46 47.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 68.4 p -139.76 155.41 71.33 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.697 0.761 . . . . 0.0 111.089 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -48.24 -31.75 17.77 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.613 2.208 . . . . 0.0 112.447 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -27.75 38.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.977 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 152.95 174.07 22.96 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.554 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.9 127.78 14.97 Favored 'Trans proline' 0 C--N 1.34 0.118 0 C-N-CA 122.532 2.154 . . . . 0.0 112.496 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 28.4 mm -99.08 143.05 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.986 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -140.89 130.2 23.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.805 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -157.37 139.29 14.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.784 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.429 HG21 ' HG3' ' A' ' 179' ' ' ARG . 96.5 m -70.69 147.25 49.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.01 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 20.9 mt -114.68 -40.31 3.59 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.485 ' HB2' ' HE2' ' A' ' 58' ' ' LYS . . . -142.97 145.43 32.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.121 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 179' ' ' ARG . . . . . 0.429 ' HG3' HG21 ' A' ' 176' ' ' THR . 18.7 mtt-85 -137.68 105.84 5.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.001 0.429 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.819 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 15.7 m-85 -103.47 97.83 7.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 . . . . . 0 C--O 1.233 0.235 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.023 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ptt? . . . . . 0 C--O 1.234 0.251 0 CA-C-O 120.764 0.316 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 2' ' ' ARG . 3.6 ptm180 -97.33 83.78 3.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.805 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.562 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -72.41 151.64 42.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.197 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -162.16 143.16 10.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.937 HG22 HD13 ' A' ' 162' ' ' LEU . 12.1 pt -104.0 140.15 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.999 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -136.38 171.23 14.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.978 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.1 mt -107.08 116.61 51.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.045 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.01 129.88 4.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.823 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 9' ' ' VAL . 5.7 m -108.4 91.0 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.059 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.8 t -43.98 167.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.815 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -51.36 -42.93 61.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.2 p -43.55 -30.17 0.56 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.1 t -97.75 -50.57 11.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.73 ' O ' HG23 ' A' ' 18' ' ' VAL . 60.9 mtt180 -48.6 -54.44 14.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.784 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -65.11 -34.88 79.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.968 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.8 -65.99 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 69.5 mt -53.97 -50.31 66.82 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.96 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 14' ' ' ARG . 94.3 t -51.31 -43.07 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.151 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -49.19 -45.37 44.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.03 -48.99 77.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.21 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.487 ' OE1' ' CD1' ' A' ' 33' ' ' PHE . 23.9 mt-30 -45.38 -58.68 3.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.031 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -40.69 -35.5 0.49 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.038 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -80.32 -44.44 19.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.059 0.457 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.0 mt -51.69 -67.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.281 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.87 168.92 6.92 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.5 t -130.16 47.17 2.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -75.12 -62.69 1.47 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.456 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 2.9 pm0 -87.13 -39.43 15.55 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.456 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -100.95 152.14 20.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.437 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 24.8 mmmt -108.63 109.65 20.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.847 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.748 HG12 HG22 ' A' ' 131' ' ' VAL . 37.1 mt -134.12 126.46 49.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -90.29 98.66 11.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.925 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.487 ' CD1' ' OE1' ' A' ' 21' ' ' GLN . 18.4 m-85 -60.56 -179.07 0.11 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.995 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.537 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 49.2 t -129.66 140.15 49.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 34' ' ' VAL . 50.1 mm-40 -36.35 154.22 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.474 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 79.1 mtt180 -66.56 -46.24 76.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -76.13 7.79 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.015 0.436 . . . . 0.0 110.994 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.536 ' HB2' HG12 ' A' ' 34' ' ' VAL . 3.0 m120 -111.73 6.51 19.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.823 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.537 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 20.4 m-85 -86.62 7.37 26.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.994 0.426 . . . . 0.0 110.996 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.494 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 2.5 p-80 -51.9 132.3 31.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.734 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.7 mt -70.24 113.84 6.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.215 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.1 m -64.92 101.73 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.285 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.563 ' O ' HD23 ' A' ' 43' ' ' LEU . 5.0 tt -76.54 -48.52 19.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.613 ' NZ ' HD11 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -150.91 134.77 16.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.797 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -99.22 150.87 21.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.877 ' HB3' HD11 ' A' ' 49' ' ' ILE . 14.2 mt -117.08 -63.37 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.002 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.85 -138.99 14.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.505 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' C ' HG13 ' A' ' 49' ' ' ILE . 29.7 tt0 -66.63 127.23 31.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.965 0.412 . . . . 0.0 110.848 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.877 HD11 ' HB3' ' A' ' 46' ' ' LEU . 10.0 mt -152.49 147.8 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.4 p -94.73 143.49 26.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -42.83 -27.04 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -82.26 -50.73 8.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.705 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.591 ' O ' HD12 ' A' ' 57' ' ' ILE . 15.1 mm100 -62.79 -29.04 70.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.01 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.55 -61.03 1.7 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.975 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -52.07 -35.81 48.65 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -51.54 -35.06 39.24 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.791 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.3 mp -80.18 -56.94 5.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.186 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' ILE . 81.5 mttt -36.27 -60.2 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -45.33 -43.42 10.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 57' ' ' ILE . 56.9 mt -58.08 -38.73 69.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.07 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 27.4 mt -70.3 -33.58 71.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -55.87 -54.34 45.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -61.02 -50.7 72.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.981 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.48 ' CD1' ' HA ' ' A' ' 107' ' ' ILE . 19.5 mt -57.57 -66.66 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.146 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -44.74 -20.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 64' ' ' ILE . 6.5 ttmt -88.58 -46.56 8.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -65.55 -11.85 47.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.972 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.549 ' CD2' HG12 ' A' ' 103' ' ' ILE . 43.5 m-85 -106.61 162.99 13.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.99 173.79 6.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.987 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -85.32 110.34 19.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.402 ' O ' HG23 ' A' ' 156' ' ' ILE . 28.4 t60 -98.78 163.47 12.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.838 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -114.21 110.05 19.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.018 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.4 m -115.82 169.26 6.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.056 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -121.33 161.79 21.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.536 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.9 p -123.8 106.96 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 25.5 ttm180 -156.7 147.76 22.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.907 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.404 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 98.84 145.67 19.05 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.47 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.446 HG23 ' O ' ' A' ' 91' ' ' TRP . 50.3 mt -142.63 137.29 28.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 111.209 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -118.57 168.35 13.2 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.9 m -136.0 164.85 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.018 0.437 . . . . 0.0 111.08 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.568 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 11.8 m-85 -149.22 153.27 37.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.722 0.773 . . . . 0.0 110.888 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.9 Cg_endo -69.86 -21.61 10.22 Favored 'Cis proline' 0 C--N 1.344 0.324 0 C-N-CA 122.598 -1.834 . . . . 0.0 112.435 0.1 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.447 ' CG ' ' C ' ' A' ' 82' ' ' PRO . 0.6 OUTLIER -163.36 159.37 18.04 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.701 0.762 . . . . 0.0 110.901 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.73 -64.33 0.25 Allowed 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.702 2.268 . . . . 0.0 112.409 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -39.33 -36.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.041 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -131.5 91.38 3.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 71.7 t -82.55 134.53 26.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.217 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -128.68 -38.29 1.71 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.762 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.689 HG22 ' HG2' ' A' ' 130' ' ' ARG . 89.3 t -135.97 119.27 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.421 ' CD1' HD13 ' A' ' 31' ' ' ILE . 64.8 mt -88.09 128.07 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.974 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.568 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 49.2 p-90 -144.89 143.62 30.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.959 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.53 166.32 12.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.076 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.2 147.93 16.66 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.519 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.8 t -99.55 142.79 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.937 0.398 . . . . 0.0 111.092 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.504 ' O ' ' C ' ' A' ' 96' ' ' ASN . 15.2 mt-10 -70.87 -176.35 1.32 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.504 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.3 p-10 -30.0 100.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.522 ' HB2' HD12 ' A' ' 100' ' ' ILE . 3.4 p30 -124.87 50.4 1.75 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.937 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -54.34 -62.99 1.3 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.558 HD13 ' HE3' ' A' ' 102' ' ' LYS . 29.1 mm -42.48 -56.46 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.991 0.424 . . . . 0.0 111.249 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.522 HD12 ' HB2' ' A' ' 97' ' ' ASP . 82.0 mt -50.74 -35.39 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.018 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -68.93 -60.45 2.36 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.984 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.558 ' HE3' HD13 ' A' ' 99' ' ' ILE . 12.2 ptpt -51.61 -39.9 58.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.068 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.568 HG22 ' CD1' ' A' ' 107' ' ' ILE . 60.1 mt -66.36 -50.3 68.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.019 0.437 . . . . 0.0 111.144 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.25 -45.94 72.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.122 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -61.98 -47.97 82.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -65.04 -25.33 67.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.005 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.568 ' CD1' HG22 ' A' ' 103' ' ' ILE . 62.1 mt -75.57 -44.48 40.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.239 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -76.7 -32.64 58.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.825 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -53.75 -43.94 69.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.027 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -67.91 -47.87 67.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.724 HD23 HD12 ' A' ' 114' ' ' LEU . 33.7 mt -56.33 -40.33 74.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -38.52 -35.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.961 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -70.89 -42.8 69.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.737 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.724 HD12 HD23 ' A' ' 111' ' ' LEU . 28.7 mt -64.95 -19.07 65.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.97 0.414 . . . . 0.0 111.064 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 108.3 55.75 0.59 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.58 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -124.53 170.96 10.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.002 0.429 . . . . 0.0 110.784 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -85.71 147.8 26.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.051 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -119.16 127.22 53.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -97.89 107.14 19.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -46.33 -76.72 0.12 Allowed Glycine 0 C--O 1.228 -0.252 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.459 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.71 113.38 24.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.669 0.271 . . . . 0.0 111.057 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -89.29 145.44 25.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.022 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 62.3 t -142.35 115.87 4.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.266 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.84 107.41 9.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.157 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -141.4 166.84 23.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.56 ' N ' HD12 ' A' ' 126' ' ' ILE . 1.7 mp -138.49 107.92 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.011 0.434 . . . . 0.0 111.164 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 84.3 m -66.57 118.89 10.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.048 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 74.1 mt -83.32 -30.71 27.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.083 0.468 . . . . 0.0 111.055 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 165.52 161.27 14.15 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.689 ' HG2' HG22 ' A' ' 89' ' ' VAL . 31.8 mtp180 -97.74 155.41 17.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.076 0.465 . . . . 0.0 110.746 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.748 HG22 HG12 ' A' ' 31' ' ' ILE . 94.7 t -101.52 124.26 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -84.27 -60.18 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.771 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.494 ' O ' ' CD1' ' A' ' 133' ' ' PHE . 4.7 p90 -164.01 132.01 3.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.038 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.417 HG11 HD11 ' A' ' 140' ' ' LEU . 1.8 p -127.18 153.13 36.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.092 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.401 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 54.2 tttm -107.51 -42.0 4.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -85.31 96.33 9.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 138' ' ' LEU . 35.7 mttp -64.62 -67.37 0.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 137' ' ' LYS . 48.6 mt -34.91 -45.07 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.815 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -48.63 -47.08 30.29 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.495 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.417 HD11 HG11 ' A' ' 134' ' ' VAL . 48.9 mt -49.43 -60.34 2.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.765 0.317 . . . . 0.0 110.821 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.84 -60.98 2.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.109 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 7.6 mmt -40.38 -32.31 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -81.55 -52.02 7.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.974 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 58.6 mt -40.78 -48.72 3.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.187 0.517 . . . . 0.0 110.921 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -49.47 -43.77 45.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.85 -38.68 91.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.755 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.5 mp -100.31 33.84 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.009 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -96.64 -39.83 9.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.186 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 150' ' ' GLU . 70.9 m-20 -110.01 -26.71 9.58 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 149' ' ' ASN . 3.5 tp10 -34.67 110.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.102 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 153' ' ' GLY . 7.8 t70 -73.3 152.47 40.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.536 ' HB2' HG13 ' A' ' 75' ' ' VAL . 48.8 m-85 -115.6 -29.94 6.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.799 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' A' ' 151' ' ' ASP . . . 132.99 -165.54 23.93 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.421 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 14.9 p -146.86 167.02 24.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 0.0 110.945 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -164.67 165.52 20.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.711 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 71' ' ' HIS . 49.0 mt -111.66 127.83 68.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.073 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 47.5 t -71.21 104.2 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -100.21 -72.17 0.68 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.991 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.803 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -101.46 171.47 7.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.072 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 95.8 mt -121.31 145.37 27.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.078 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -120.06 127.02 52.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.937 HD13 HG22 ' A' ' 5' ' ' ILE . 33.0 tp -114.13 105.53 13.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -111.59 161.29 16.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.125 0.488 . . . . 0.0 110.86 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.44 ' HZ3' HD11 ' A' ' 177' ' ' LEU . 2.2 tmmm? -133.13 152.44 51.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.737 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.536 ' OG ' ' CE1' ' A' ' 174' ' ' TYR . 1.4 m -116.7 142.55 46.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.794 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 65.8 m -134.88 98.81 4.12 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.29 131.04 45.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 30.5 p -138.37 155.6 73.88 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.244 0.545 . . . . 0.0 111.339 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -48.09 -33.75 21.78 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.85 2.367 . . . . 0.0 112.206 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -22.99 42.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.012 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 146.79 172.02 16.65 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.286 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.78 130.48 19.39 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.586 2.191 . . . . 0.0 112.398 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 32.6 mm -105.04 142.39 18.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.025 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 174' ' ' TYR . . . . . 0.536 ' CE1' ' OG ' ' A' ' 165' ' ' SER . 4.6 m-85 -127.54 120.98 29.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.107 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -143.45 151.7 40.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.834 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.412 HG21 ' CG ' ' A' ' 179' ' ' ARG . 21.2 m -86.18 148.25 25.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.44 HD11 ' HZ3' ' A' ' 164' ' ' LYS . 19.9 mt -116.06 -45.96 2.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.848 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.624 ' HB3' HD23 ' A' ' 162' ' ' LEU . . . -141.45 137.96 32.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.015 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 179' ' ' ARG . . . . . 0.412 ' CG ' HG21 ' A' ' 176' ' ' THR . 0.0 OUTLIER -129.54 109.76 11.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.843 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.803 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 2.2 m-85 -93.27 97.57 10.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.772 -179.853 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ptt? . . . . . 0 C--O 1.234 0.272 0 CA-C-O 120.516 0.198 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.457 ' CG ' ' HB3' ' A' ' 165' ' ' SER . 10.1 ptp180 -98.26 86.59 3.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.744 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.811 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -78.89 160.65 27.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.958 0.409 . . . . 0.0 111.043 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.518 ' O ' HD12 ' A' ' 162' ' ' LEU . 39.7 p90 -170.65 143.61 2.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.679 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.2 pt -95.95 138.23 21.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.328 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -137.45 163.28 31.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.276 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.1 HG21 HG22 ' A' ' 157' ' ' VAL . 65.5 mt -104.16 125.24 58.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -49.33 144.48 5.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.955 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.446 HG23 ' HG3' ' A' ' 14' ' ' ARG . 4.8 m -118.5 90.18 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.23 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 m -38.34 154.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 12' ' ' SER . 6.5 mm-40 -42.86 -52.25 5.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.718 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 11' ' ' GLU . 13.9 t -34.52 -49.5 0.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.037 0.446 . . . . 0.0 110.693 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.598 HG21 ' CE2' ' A' ' 155' ' ' PHE . 87.2 t -75.62 -53.78 15.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.028 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.612 ' O ' HG23 ' A' ' 18' ' ' VAL . 57.7 mtt180 -43.11 -54.33 4.45 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -68.83 -31.98 71.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.3 -55.24 36.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.052 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.72 HD23 ' CE1' ' A' ' 152' ' ' PHE . 84.7 mt -63.49 -49.55 73.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.75 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 14' ' ' ARG . 93.6 t -55.13 -40.74 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.262 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -49.68 -46.03 49.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.439 ' HB1' ' CD2' ' A' ' 147' ' ' LEU . . . -62.17 -50.51 71.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.544 ' OE1' ' CD1' ' A' ' 33' ' ' PHE . 17.5 mt-30 -46.29 -55.51 7.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.999 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.71 -47.28 10.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.725 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -66.13 -37.56 85.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.948 0.404 . . . . 0.0 110.974 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.767 HG23 ' HD3' ' A' ' 143' ' ' LYS . 86.1 mt -63.17 -60.7 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.091 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.34 173.76 8.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.382 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.7 p -134.46 48.28 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.357 . . . . 0.0 110.915 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -74.23 -57.45 3.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.0 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.04 -42.22 10.64 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.753 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.29 147.57 25.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 6.0 tmtm? -103.09 103.2 13.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.986 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.552 HG12 HG22 ' A' ' 131' ' ' VAL . 34.1 mt -123.5 119.4 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.081 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -87.57 81.78 7.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.737 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.544 ' CD1' ' OE1' ' A' ' 21' ' ' GLN . 16.6 m-85 -56.26 173.31 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.601 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 85.0 t -105.05 145.73 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.403 ' HB2' ' OD1' ' A' ' 38' ' ' ASN . 5.7 mm-40 -49.13 176.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.521 ' HA ' ' CD2' ' A' ' 39' ' ' PHE . 46.1 mtt180 -82.2 -41.13 20.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -81.93 18.49 1.3 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.815 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.484 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -135.05 22.81 3.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.869 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.601 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 11.3 m-85 -96.24 10.69 37.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -56.26 149.91 15.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.713 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.1 mt -86.84 112.43 23.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.204 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.0 m -64.79 97.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.056 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.408 HD12 HD11 ' A' ' 7' ' ' ILE . 5.4 tt -68.44 -46.64 69.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.462 ' NZ ' HD21 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -157.17 129.91 7.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.879 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -93.2 139.72 30.3 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.787 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.56 ' CB ' HD11 ' A' ' 49' ' ' ILE . 81.4 mt -103.63 -63.08 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.957 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.37 -132.39 11.01 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.503 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.33 120.17 12.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.94 0.4 . . . . 0.0 110.949 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.811 HD12 ' HB3' ' A' ' 3' ' ' ALA . 26.1 mt -137.78 152.6 26.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.142 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 51' ' ' GLU . 21.3 p -105.18 138.85 40.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 50' ' ' THR . 5.2 mp0 -34.08 -37.96 0.05 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.988 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' THR . 21.3 mt-10 -69.81 -66.32 0.61 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 56' ' ' GLU . 79.6 mm-40 -43.19 -39.51 2.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.07 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -39.22 -61.93 0.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.02 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 56' ' ' GLU . 2.8 pt-20 -56.62 -26.83 56.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.762 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 53' ' ' GLN . 6.5 tp10 -61.39 -55.95 25.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.735 ' H ' HD12 ' A' ' 57' ' ' ILE . 4.1 mp -54.92 -59.79 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.1 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.723 ' HE2' ' HB2' ' A' ' 178' ' ' ALA . 8.3 mtpm? -35.97 -56.84 0.71 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.204 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -45.43 -50.11 12.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 57.7 mt -59.08 -51.53 71.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.169 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 58' ' ' LYS . 42.0 mt -51.11 -30.77 17.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.892 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -74.73 -32.2 62.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.788 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 45.7 mttt -78.3 -28.84 47.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.77 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.478 ' HA ' ' CD ' ' A' ' 67' ' ' LYS . 90.2 mt -87.67 -54.95 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.497 ' HB2' HD12 ' A' ' 160' ' ' ILE . . . -48.31 -20.25 0.37 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.005 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.48 -25.96 14.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.816 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.478 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 1.5 ptmt -78.77 -18.67 53.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.454 ' CD2' HG12 ' A' ' 103' ' ' ILE . 39.7 m-85 -106.99 157.5 17.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.76 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -99.46 175.05 5.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.012 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.48 ' HB3' ' CG2' ' A' ' 156' ' ' ILE . 7.5 mptt -97.71 108.75 21.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.862 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.668 ' O ' HG23 ' A' ' 156' ' ' ILE . 5.5 t60 -98.6 164.4 12.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -107.35 123.13 47.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.2 m -128.28 165.51 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 153' ' ' GLY . 9.2 t-20 -118.64 162.79 17.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.911 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.802 HG13 ' HB2' ' A' ' 152' ' ' PHE . 1.5 p -124.03 112.05 31.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.472 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 17.9 ttp180 -157.19 150.82 24.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.725 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.472 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 94.28 151.04 27.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.648 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.8 mt -142.58 129.41 18.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.695 0.283 . . . . 0.0 111.272 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.54 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -107.32 156.19 16.03 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.591 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.9 m -126.26 163.0 29.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.819 0.342 . . . . 0.0 111.265 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.565 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 10.2 m-85 -149.52 152.0 34.41 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.674 0.749 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 53.1 Cg_endo -69.92 -20.07 11.11 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.28 0.14 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -168.4 162.94 8.66 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.602 0.715 . . . . 0.0 110.957 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -47.83 -62.04 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.749 2.299 . . . . 0.0 112.248 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.44 ' ND2' ' HB2' ' A' ' 86' ' ' TYR . 1.6 p-10 -38.86 -37.43 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.815 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.44 ' HB2' ' ND2' ' A' ' 85' ' ' ASN . 5.4 t80 -133.8 95.84 3.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.086 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 63.9 t -89.71 128.7 41.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -125.55 -42.3 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.013 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 58.3 t -125.96 120.41 57.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.092 0.472 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 70.3 mt -91.81 121.61 42.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.027 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.565 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 39.1 p-90 -135.17 141.73 45.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.926 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.23 162.34 15.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.869 0.366 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.98 138.25 11.26 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.508 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 97.0 t -93.82 149.94 4.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.743 0.306 . . . . 0.0 111.214 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.523 ' O ' ' C ' ' A' ' 96' ' ' ASN . 23.0 mt-10 -71.81 -176.05 1.56 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.097 0.475 . . . . 0.0 110.668 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.523 ' C ' ' O ' ' A' ' 95' ' ' GLU . 13.2 p-10 -27.07 114.81 0.07 Allowed 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.834 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.505 ' HB2' HD12 ' A' ' 100' ' ' ILE . 3.6 p-10 -131.17 37.14 3.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -47.5 -63.22 1.11 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.783 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 47.9 mm -45.87 -45.28 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.505 HD12 ' HB2' ' A' ' 97' ' ' ASP . 54.4 mt -59.64 -42.6 88.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.923 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.564 ' HG2' ' CD1' ' A' ' 122' ' ' PHE . 5.9 mtmp? -56.27 -56.76 17.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -45.74 -55.94 5.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.949 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.821 HG22 ' CD1' ' A' ' 107' ' ' ILE . 63.6 mt -54.17 -50.65 53.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.368 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.57 -32.72 59.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.996 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -78.07 -47.52 18.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.909 0.385 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -60.94 -50.98 71.21 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.004 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.821 ' CD1' HG22 ' A' ' 103' ' ' ILE . 60.6 mt -50.87 -47.74 29.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.218 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 111' ' ' LEU . 8.0 t0 -68.32 -53.01 27.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.696 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 108' ' ' ASP . 10.2 t0 -34.77 -47.53 0.34 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.919 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -68.88 -41.49 78.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.68 HD23 HD12 ' A' ' 114' ' ' LEU . 71.5 mt -61.56 -41.12 96.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 111' ' ' LEU . . . -36.72 -39.87 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.961 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -67.72 -42.48 81.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.773 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.68 HD12 HD23 ' A' ' 111' ' ' LEU . 26.6 mt -64.86 -29.27 70.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.151 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 122.43 55.11 0.21 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.46 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.491 ' CD1' ' HB3' ' A' ' 111' ' ' LEU . 89.5 m-85 -131.32 151.38 51.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.115 0.483 . . . . 0.0 110.936 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.59 135.87 34.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.041 0.448 . . . . 0.0 110.728 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -110.4 142.09 42.57 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -98.27 124.48 42.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.44 -62.03 6.42 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.283 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -92.99 111.55 23.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.895 0.379 . . . . 0.0 110.983 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.564 ' CD1' ' HG2' ' A' ' 101' ' ' LYS . 1.1 t80 -88.84 139.25 30.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.037 0.446 . . . . 0.0 110.88 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 34.7 t -136.21 115.35 16.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.067 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.23 106.49 11.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.975 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.44 ' C ' HD12 ' A' ' 126' ' ' ILE . 25.3 p-80 -140.96 161.55 37.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.521 ' N ' HD12 ' A' ' 126' ' ' ILE . 4.4 mp -131.93 103.63 7.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.174 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 91.0 m -55.29 109.42 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.13 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 51.2 mt -73.56 -39.8 64.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 176.72 -176.81 48.07 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.566 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 -125.92 146.29 49.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.552 HG22 HG12 ' A' ' 31' ' ' ILE . 87.0 t -91.79 127.19 44.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -95.02 -62.15 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.032 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.483 ' O ' ' CD1' ' A' ' 133' ' ' PHE . 7.5 p90 -149.81 132.31 15.73 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.845 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.607 HG21 HD21 ' A' ' 140' ' ' LEU . 3.0 p -133.34 150.78 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.411 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -110.95 -50.7 2.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -76.91 108.98 10.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 138' ' ' LEU . 3.2 mppt? -71.53 -63.94 1.02 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 137' ' ' LYS . 31.4 mt -37.41 -52.92 1.14 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -43.31 -42.39 5.52 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.512 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.607 HD21 HG21 ' A' ' 134' ' ' VAL . 69.5 mt -52.58 -63.67 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.769 0.318 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.577 ' HA ' HD12 ' A' ' 144' ' ' LEU . . . -61.44 -60.0 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.4 mmt -38.26 -38.25 0.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.767 ' HD3' HG23 ' A' ' 24' ' ' ILE . 3.5 ttmt -70.73 -59.04 3.04 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.823 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 141' ' ' ALA . 29.8 mt -38.9 -54.14 1.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.885 0.374 . . . . 0.0 110.746 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -50.66 -42.95 57.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.731 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.9 -37.41 87.56 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.04 0.448 . . . . 0.0 111.015 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.599 ' CD2' HD11 ' A' ' 24' ' ' ILE . 8.2 mp -107.43 39.47 1.89 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.986 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -99.01 -37.71 9.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.981 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 150' ' ' GLU . 33.7 m120 -108.1 -24.66 11.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.855 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 149' ' ' ASN . 8.0 tm-20 -34.97 121.8 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.06 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -87.66 153.46 21.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.802 ' HB2' HG13 ' A' ' 75' ' ' VAL . 81.8 m-85 -112.59 -33.57 6.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.816 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 153' ' ' GLY . . . . . 0.427 ' O ' ' ND2' ' A' ' 74' ' ' ASN . . . 136.9 -163.45 25.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.425 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.8 m -146.61 159.63 43.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' PHE . . . . . 0.598 ' CE2' HG21 ' A' ' 13' ' ' VAL . 34.1 p90 -165.49 169.78 15.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.668 HG23 ' O ' ' A' ' 71' ' ' HIS . 77.1 mt -112.6 130.02 67.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.056 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 1.1 HG22 HG21 ' A' ' 7' ' ' ILE . 55.4 t -84.13 99.9 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.108 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.457 ' HA ' ' CG ' ' A' ' 70' ' ' LYS . 16.3 mp0 -98.79 -69.89 0.75 Allowed 'General case' 0 C--O 1.224 -0.255 0 CA-C-O 121.077 0.465 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.98 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -86.0 176.17 8.18 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.058 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 160' ' ' ILE . . . . . 0.497 HD12 ' HB2' ' A' ' 65' ' ' ALA . 66.9 mt -131.08 153.01 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.283 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.423 ' N ' HG22 ' A' ' 160' ' ' ILE . 1.2 tm-20 -129.43 127.72 41.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.815 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' ' 4' ' ' PHE . 35.5 tp -115.97 120.93 40.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.792 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -126.79 155.48 42.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.991 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.574 ' HD3' HD21 ' A' ' 177' ' ' LEU . 10.3 pttm -127.56 151.65 48.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.027 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.457 ' HB3' ' CG ' ' A' ' 2' ' ' ARG . 6.7 t -118.21 139.4 51.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.001 0.429 . . . . 0.0 110.64 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 88.1 m -135.14 100.95 4.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.237 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 18.4 mt -67.44 128.06 35.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 18.1 p -130.7 158.05 75.94 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.671 0.748 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -48.13 -31.47 16.59 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.782 2.321 . . . . 0.0 112.235 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.42 -33.65 36.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.962 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 159.35 176.67 31.67 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.673 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.53 121.91 8.65 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.716 2.277 . . . . 0.0 112.387 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 20.0 mm -97.39 137.8 24.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -128.54 114.97 17.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.048 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 176' ' ' THR . 9.7 tp10 -133.37 158.42 43.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.992 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.455 ' N ' ' HG3' ' A' ' 175' ' ' GLU . 18.8 m -91.71 146.49 23.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.026 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.574 HD21 ' HD3' ' A' ' 164' ' ' LYS . 34.4 mt -112.4 -42.82 3.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.087 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.723 ' HB2' ' HE2' ' A' ' 58' ' ' LYS . . . -140.75 141.36 34.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.203 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -136.3 105.11 5.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.984 0.421 . . . . 0.0 110.81 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.98 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 18.3 m-85 -110.18 99.14 8.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.854 -179.751 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.505 ' CG ' ' O ' ' A' ' 1' ' ' MET . 9.9 ttt . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.981 0.42 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.5 ttt85 -74.35 72.73 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.042 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.657 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -63.77 154.82 32.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.447 ' O ' HD12 ' A' ' 162' ' ' LEU . 27.7 p90 -167.16 134.25 2.37 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.735 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.748 HD11 ' HB3' ' A' ' 44' ' ' LYS . 26.1 pt -91.36 137.99 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -133.7 162.88 30.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.903 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.704 HG21 HG22 ' A' ' 157' ' ' VAL . 37.1 mt -106.74 134.33 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.91 130.84 47.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 10' ' ' SER . 3.2 m -111.27 89.31 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.953 0.406 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 9' ' ' VAL . 3.8 t -35.15 152.42 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -42.83 -37.88 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.807 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.2 t -41.67 -42.55 2.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.3 t -86.25 -54.91 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.21 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.688 ' O ' HG23 ' A' ' 18' ' ' VAL . 27.8 mtt180 -42.83 -53.22 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.836 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.7 -35.81 79.09 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.02 -68.82 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.957 0.408 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.0 mt -41.05 -45.46 2.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.956 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 14' ' ' ARG . 99.7 t -56.91 -36.94 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -54.78 -45.26 74.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.55 -48.01 81.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.158 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 24' ' ' ILE . 20.9 mt-30 -51.29 -60.47 3.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -41.42 -39.17 1.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.459 ' CE2' ' HG2' ' A' ' 143' ' ' LYS . 47.9 t80 -71.27 -36.44 71.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' GLN . 39.0 mt -68.94 -58.81 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.17 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.75 162.88 0.23 Allowed Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.611 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.2 m -118.03 38.65 3.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.893 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.6 mttm -70.64 -53.23 16.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -98.46 -39.76 8.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.901 179.789 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.434 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -99.96 149.33 23.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -105.77 100.7 10.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.507 HG12 HG22 ' A' ' 131' ' ' VAL . 53.3 mt -123.59 117.63 51.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -80.43 79.25 7.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.841 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -56.02 163.77 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.969 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 128' ' ' LEU . 50.9 t -105.15 148.78 9.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.237 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -41.1 163.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.795 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -76.28 -45.49 32.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 37' ' ' GLU . 10.3 tt0 -73.77 3.99 5.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.786 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -111.57 20.5 17.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.093 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -93.31 7.86 42.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.704 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -55.21 143.31 28.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.9 mt -79.53 119.26 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.068 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.2 m -69.97 92.59 0.73 Allowed 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.039 0.447 . . . . 0.0 111.171 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.475 ' O ' ' CE1' ' A' ' 122' ' ' PHE . 5.4 tt -51.28 -53.73 32.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.748 ' HB3' HD11 ' A' ' 5' ' ' ILE . 30.7 tttm -153.46 147.33 25.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.128 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.425 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 46.3 t80 -99.85 140.05 34.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.987 0.423 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.8 mt -111.82 -64.52 1.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.49 -130.85 10.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.353 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.444 ' C ' HG13 ' A' ' 49' ' ' ILE . 16.2 mt-10 -74.05 136.87 43.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.709 0.29 . . . . 0.0 110.838 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.657 HD12 ' HB3' ' A' ' 3' ' ' ALA . 27.0 mt -149.2 155.55 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.428 ' N ' HG22 ' A' ' 49' ' ' ILE . 34.7 p -97.38 135.94 38.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.089 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -41.01 -26.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.963 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 50' ' ' THR . 21.5 mt-10 -79.15 -49.2 12.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.733 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.472 ' OE1' ' N ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -68.48 -24.9 64.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.87 0.367 . . . . 0.0 110.747 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.69 -55.82 8.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.337 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -58.97 -20.7 55.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.415 ' HG2' HD21 ' A' ' 114' ' ' LEU . 4.7 tp10 -71.07 -45.14 64.33 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.728 HG13 HD21 ' A' ' 111' ' ' LEU . 1.9 mp -56.42 -42.48 75.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.155 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -62.54 -71.68 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -35.53 -38.31 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.022 179.671 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.592 HG23 ' OE2' ' A' ' 110' ' ' GLU . 91.4 mt -66.22 -50.03 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 58' ' ' LYS . 25.3 mt -60.92 -32.43 71.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.951 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -54.33 -47.64 72.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -52.43 17.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.887 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.467 ' CD1' ' HA ' ' A' ' 107' ' ' ILE . 40.1 mt -51.18 -61.37 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.29 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.468 ' HB2' HD12 ' A' ' 160' ' ' ILE . . . -51.22 -16.32 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.083 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -97.48 -34.79 10.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.059 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -13.4 61.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.005 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.567 ' CD2' HG12 ' A' ' 103' ' ' ILE . 46.2 m-85 -106.83 155.4 19.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.044 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 172.06 8.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.751 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -86.79 100.15 12.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.787 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -91.86 155.53 18.13 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.84 112.79 23.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.748 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.6 m -113.98 165.01 9.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.086 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.474 ' O ' HG13 ' A' ' 94' ' ' VAL . 24.7 t-20 -115.1 152.53 32.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.742 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.45 ' O ' HG22 ' A' ' 75' ' ' VAL . 1.0 OUTLIER -112.48 98.4 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.048 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -143.01 155.61 44.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.045 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.49 137.2 3.1 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.547 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 91' ' ' TRP . 70.7 mt -135.51 136.5 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.931 0.396 . . . . 0.0 110.922 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.515 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -114.76 170.42 13.25 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.527 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.433 HG21 ' HA ' ' A' ' 84' ' ' PRO . 34.7 m -137.42 157.36 34.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 111.213 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.613 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 11.6 m-85 -137.99 153.32 73.43 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.502 0.668 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 52.9 Cg_endo -69.79 -28.79 6.08 Favored 'Cis proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.826 -1.739 . . . . 0.0 112.188 0.229 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -155.89 158.7 31.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.685 0.755 . . . . 0.0 111.032 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.433 ' HA ' HG21 ' A' ' 80' ' ' VAL . 62.3 Cg_exo -47.94 -55.68 3.79 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.621 2.214 . . . . 0.0 112.428 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -43.11 -40.5 3.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.772 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -131.22 90.31 2.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 74.8 t -79.46 131.86 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.179 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -127.31 -30.76 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.2 t -142.67 122.09 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.234 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 96.1 mt -89.07 128.29 41.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.613 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 19.5 p-90 -139.97 140.93 36.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.885 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.8 159.44 15.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.78 150.74 16.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.474 HG13 ' O ' ' A' ' 74' ' ' ASN . 90.4 t -109.13 146.72 14.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.877 0.37 . . . . 0.0 111.042 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.537 ' O ' ' C ' ' A' ' 96' ' ' ASN . 6.2 pt-20 -71.79 -175.71 1.46 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.537 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.7 t-20 -26.64 109.71 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.13 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.41 29.82 6.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.776 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -40.38 -61.93 0.84 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.815 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 11.3 mm -42.79 -47.65 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 58.9 mt -66.85 -34.53 70.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.215 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -61.98 -63.07 1.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.948 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -50.44 -29.54 10.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.567 HG12 ' CD2' ' A' ' 68' ' ' TYR . 65.5 mt -73.46 -44.69 53.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.194 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.08 -36.28 77.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.222 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -71.67 -42.73 67.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -60.42 -50.05 75.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.467 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 53.1 mt -51.49 -39.37 22.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.323 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.514 ' HA ' HD12 ' A' ' 111' ' ' LEU . 4.9 t70 -75.58 -49.32 18.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.949 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 108' ' ' ASP . 6.1 t0 -37.3 -32.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.021 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.592 ' OE2' HG23 ' A' ' 60' ' ' ILE . 3.3 mt-10 -82.99 -40.6 19.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.728 HD21 HG13 ' A' ' 57' ' ' ILE . 27.3 mt -64.73 -38.65 91.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.727 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -41.69 -31.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -78.32 -37.57 44.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.513 HD12 HD23 ' A' ' 111' ' ' LEU . 37.6 mt -72.41 -24.73 61.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.992 0.425 . . . . 0.0 110.839 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 116.98 62.13 0.32 Allowed Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.558 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.517 ' CD1' ' HB3' ' A' ' 111' ' ' LEU . 51.5 m-85 -131.3 172.23 12.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.976 0.417 . . . . 0.0 110.812 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.0 tttt -100.71 152.23 20.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.953 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -118.38 135.62 54.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.874 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -99.95 122.98 43.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.902 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.86 -67.39 2.24 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.41 124.05 44.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.969 0.414 . . . . 0.0 110.77 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.475 ' CE1' ' O ' ' A' ' 43' ' ' LEU . 87.0 t80 -98.35 146.11 26.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 97.7 t -141.2 113.62 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.213 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.78 102.54 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.188 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 26.1 p-80 -136.24 165.0 26.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.969 0.414 . . . . 0.0 110.748 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.597 ' N ' HD12 ' A' ' 126' ' ' ILE . 1.7 mp -136.16 107.35 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.096 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 94.1 m -62.76 109.53 1.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.291 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 34' ' ' VAL . 60.4 mt -72.37 -49.69 32.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -171.88 -179.23 42.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.528 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -122.48 146.55 47.28 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.884 0.373 . . . . 0.0 110.767 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.507 HG22 HG12 ' A' ' 31' ' ' ILE . 93.4 t -96.55 114.57 33.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.073 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.93 -50.02 6.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.79 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.555 ' O ' ' CD1' ' A' ' 133' ' ' PHE . 24.2 p90 -160.98 125.46 3.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.066 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.463 HG11 HD11 ' A' ' 140' ' ' LEU . 2.3 p -124.62 150.46 29.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.139 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -106.21 -49.85 3.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.033 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -88.3 93.75 9.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.732 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 138' ' ' LEU . 30.6 ttpt -61.95 -56.54 18.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.756 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.606 HD22 ' CE ' ' A' ' 142' ' ' MET . 30.1 mt -34.26 -49.55 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.761 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -44.83 -56.16 5.94 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.729 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.463 HD11 HG11 ' A' ' 134' ' ' VAL . 43.5 mt -41.7 -61.19 1.14 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.764 0.316 . . . . 0.0 111.001 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -61.91 -59.49 5.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.04 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.606 ' CE ' HD22 ' A' ' 138' ' ' LEU . 8.4 mmt -37.94 -36.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.791 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 146' ' ' GLU . 24.5 mtmt -83.23 -56.66 3.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.456 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 55.4 mt -37.29 -46.55 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.874 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -60.77 -39.93 90.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 143' ' ' LYS . 20.4 mm-40 -72.2 -44.03 63.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.752 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 3.8 mp -84.93 10.04 12.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.943 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 144' ' ' LEU . . . -80.38 -38.29 30.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -109.79 -20.0 12.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -47.54 112.16 0.51 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -74.19 150.28 40.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.676 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.446 ' HB2' HG13 ' A' ' 75' ' ' VAL . 76.4 m-85 -112.65 -22.17 10.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.029 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 123.47 -166.86 15.82 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.539 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.8 p -134.62 179.3 6.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.024 0.44 . . . . 0.0 110.746 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -174.85 157.04 2.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 8.1 mt -108.76 127.87 64.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.262 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.704 HG22 HG21 ' A' ' 7' ' ' ILE . 27.5 t -74.96 97.09 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.055 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -97.07 -70.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -98.56 168.35 10.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.074 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 160' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 161' ' ' GLU . 91.6 mt -124.19 156.76 31.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.18 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.482 ' N ' HG22 ' A' ' 160' ' ' ILE . 6.5 tt0 -135.72 137.39 41.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.746 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.501 HD13 ' CG2' ' A' ' 5' ' ' ILE . 15.5 tp -124.18 126.16 45.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.801 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -127.27 170.2 12.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.956 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.712 ' HD2' HD21 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -118.79 157.25 27.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.776 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 40.7 t -134.29 119.42 18.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.666 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 92.4 m -134.81 99.41 4.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.086 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 71.5 mt -70.84 123.51 22.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.983 0.42 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 43.3 p -123.58 155.77 65.48 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.609 0.718 . . . . 0.0 111.317 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -47.82 -32.99 18.37 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.835 2.357 . . . . 0.0 112.442 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -80.55 -26.53 37.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.718 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 153.58 170.38 19.62 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.57 127.42 14.72 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.7 2.266 . . . . 0.0 112.377 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 38.1 mm -100.03 127.17 53.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.845 0.355 . . . . 0.0 111.087 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -125.63 119.69 28.74 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.069 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -143.73 144.14 31.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.837 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.18 140.89 40.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.208 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.712 HD21 ' HD2' ' A' ' 164' ' ' LYS . 17.7 mt -106.16 -38.39 6.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -162.04 137.79 7.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.055 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -128.12 112.47 14.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.442 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 2.1 m-85 -91.05 97.83 11.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.052 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.793 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.409 ' HE3' ' HB ' ' A' ' 49' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.628 0.251 . . . . 0.0 110.773 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -94.67 80.12 3.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.967 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -88.01 154.03 20.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.759 ' O ' HD12 ' A' ' 162' ' ' LEU . 7.5 p90 -167.52 142.18 3.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.734 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.616 ' CD1' HD13 ' A' ' 107' ' ' ILE . 44.3 pt -85.56 140.57 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.028 0.442 . . . . 0.0 111.242 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.457 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -135.89 154.12 51.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.821 HG21 HG22 ' A' ' 157' ' ' VAL . 88.1 mt -104.17 114.82 44.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.245 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -37.94 140.6 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.792 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.6 m -123.57 91.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.038 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.0 t -44.53 169.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.936 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -50.36 -35.89 30.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.3 p -40.4 -37.74 0.72 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.027 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.3 t -97.7 -56.87 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.534 ' O ' HG23 ' A' ' 18' ' ' VAL . 27.4 mtt180 -41.93 -62.08 0.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.742 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.89 -40.7 66.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.99 -64.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.144 0.497 . . . . 0.0 111.256 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.9 mt -49.79 -46.05 50.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 14' ' ' ARG . 95.1 t -58.52 -41.87 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.239 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -51.51 -41.82 61.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.482 ' HB1' ' CD2' ' A' ' 147' ' ' LEU . . . -67.01 -49.85 64.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.059 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 24' ' ' ILE . 19.4 mt-30 -47.33 -62.16 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.993 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' GLN . 31.1 t70 -36.64 -42.29 0.35 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.989 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -74.64 -41.25 60.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 21' ' ' GLN . 96.2 mt -55.14 -51.54 53.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.87 162.41 1.42 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.245 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 76.0 p -131.85 42.86 3.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.979 0.418 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.7 tttt -88.7 -56.64 3.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.0 mp0 -77.41 -51.66 10.42 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.7 143.21 30.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.205 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -94.55 91.76 6.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.717 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.1 mt -115.75 111.14 34.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.128 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.72 89.47 3.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -57.53 -179.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.706 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.519 HG12 ' HB2' ' A' ' 38' ' ' ASN . 84.8 t -120.73 144.77 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.066 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 34' ' ' VAL . 48.4 mt-10 -37.42 156.26 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.805 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.517 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 14.0 mtt85 -66.29 -45.33 80.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -85.47 24.08 1.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.959 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.578 ' ND2' ' CD2' ' A' ' 174' ' ' TYR . 4.8 m120 -121.86 9.12 9.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.517 ' CE2' ' HA ' ' A' ' 36' ' ' ARG . 30.2 m-85 -86.6 6.94 28.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.586 ' CE1' ' HD2' ' A' ' 163' ' ' LYS . 5.4 p-80 -49.24 135.6 16.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.714 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.482 HG12 HD11 ' A' ' 126' ' ' ILE . 38.0 mt -75.29 115.89 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.218 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 45.9 m -66.22 95.29 0.29 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.202 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.637 HD12 HD11 ' A' ' 7' ' ' ILE . 5.2 tt -56.05 -50.58 70.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.014 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.604 ' HB3' HD11 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -155.1 119.03 4.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.835 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -71.83 136.92 47.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.82 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.581 ' CB ' HD11 ' A' ' 49' ' ' ILE . 12.2 mt -103.4 -65.2 1.02 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.838 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.87 -127.56 8.01 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.367 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.449 ' C ' HG13 ' A' ' 49' ' ' ILE . 3.1 tp10 -77.94 128.1 33.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.94 0.4 . . . . 0.0 110.764 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.967 HD12 ' HB3' ' A' ' 3' ' ' ALA . 13.3 mt -148.43 146.71 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.046 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.3 p -94.99 145.86 24.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -43.55 -33.25 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.049 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -69.87 -71.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -40.43 -35.27 0.42 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.055 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.511 ' HA ' HD13 ' A' ' 57' ' ' ILE . . . -41.58 -54.3 3.25 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.057 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -48.74 -36.44 16.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 110.823 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 57' ' ' ILE . 4.6 tp10 -58.7 -63.06 1.43 Allowed 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.946 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.823 HG13 HD21 ' A' ' 111' ' ' LEU . 4.0 mp -36.6 -59.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 178' ' ' ALA . 58.9 mttt -43.5 -58.78 2.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -47.67 -42.4 24.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.992 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.76 -54.01 41.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.276 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 53.8 mt -53.51 -41.85 66.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.112 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -51.86 -41.68 62.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -77.74 -48.61 16.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.871 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.566 HD12 HG12 ' A' ' 107' ' ' ILE . 8.0 mt -57.23 -62.19 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.03 0.443 . . . . 0.0 111.063 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.69 -15.2 0.43 Allowed 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -90.32 -51.06 5.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.042 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.534 ' HZ1' ' HE1' ' A' ' 68' ' ' TYR . 6.9 pttp -68.15 -9.5 47.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.534 ' HE1' ' HZ1' ' A' ' 67' ' ' LYS . 41.4 m-85 -110.37 155.1 22.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.027 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -99.06 178.76 4.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.058 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.474 ' CE ' ' HG2' ' A' ' 158' ' ' GLU . 6.6 ptmt -112.54 106.5 14.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.862 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.503 ' O ' HG23 ' A' ' 156' ' ' ILE . 63.4 t60 -99.42 173.7 6.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.019 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.448 ' CB ' HG12 ' A' ' 156' ' ' ILE . 0.4 OUTLIER -112.31 132.28 55.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.8 m -130.6 169.48 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.989 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.446 ' HB2' ' CD ' ' A' ' 95' ' ' GLU . 2.7 m120 -113.13 154.98 25.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.0 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.502 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.7 p -125.85 125.01 67.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.234 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.507 ' NE ' ' O ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -174.35 175.16 2.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.799 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.95 136.77 0.14 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.479 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.574 HG23 ' O ' ' A' ' 91' ' ' TRP . 68.3 mt -133.35 133.94 57.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.332 . . . . 0.0 111.191 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.61 172.85 16.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.563 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.6 m -140.06 156.16 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.778 0.323 . . . . 0.0 111.261 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.55 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 10.6 m-85 -138.36 152.34 71.17 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.568 0.699 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.4 Cg_endo -69.36 -28.57 6.04 Favored 'Cis proline' 0 CA--C 1.523 -0.04 0 C-N-CA 122.802 -1.749 . . . . 0.0 112.372 -0.138 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -158.37 161.19 29.03 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 121.664 0.745 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -47.77 -60.1 1.0 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.741 2.294 . . . . 0.0 112.304 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -39.89 -40.08 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.782 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -130.8 89.01 2.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.067 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 86.7 t -83.66 129.67 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.6 mmm-85 -125.25 -40.42 2.13 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.474 HG22 ' HG3' ' A' ' 130' ' ' ARG . 67.2 t -127.77 126.02 66.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.093 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 70.1 mt -93.68 130.53 42.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.574 ' O ' HG23 ' A' ' 78' ' ' ILE . 60.0 p-90 -146.04 146.06 30.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.979 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -94.81 167.03 11.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.254 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -129.18 155.1 20.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.588 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 89.6 t -117.54 146.12 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.909 0.385 . . . . 0.0 111.182 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.516 ' O ' ' C ' ' A' ' 96' ' ' ASN . 3.2 pt-20 -72.28 -175.6 1.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.077 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.516 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.6 OUTLIER -27.94 108.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.41 ' OD2' ' HB3' ' A' ' 124' ' ' ALA . 1.2 p30 -122.41 52.07 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 101' ' ' LYS . 43.5 mt-10 -51.98 -70.42 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.477 HD13 ' HE3' ' A' ' 102' ' ' LYS . 21.4 mm -36.92 -54.89 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.826 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.462 HG23 ' HG ' ' A' ' 43' ' ' LEU . 45.1 mt -58.31 -38.94 72.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.934 0.397 . . . . 0.0 111.096 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 98' ' ' GLU . 47.0 mtpt -67.04 -57.85 6.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.014 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.477 ' HE3' HD13 ' A' ' 99' ' ' ILE . 14.1 ptpt -52.17 -43.18 63.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.678 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.531 HG12 ' CG ' ' A' ' 68' ' ' TYR . 96.0 mt -67.15 -43.46 88.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.44 -38.93 66.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.0 tttt -67.09 -38.57 85.92 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.827 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.484 ' HG3' ' CE ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -67.37 -43.5 81.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.067 0.461 . . . . 0.0 110.983 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.616 HD13 ' CD1' ' A' ' 5' ' ' ILE . 32.3 mt -61.43 -42.49 94.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.172 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -76.06 -30.82 58.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.134 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.8 -51.53 68.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.642 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -64.13 -52.96 56.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.83 HD23 HD12 ' A' ' 114' ' ' LEU . 24.6 mt -51.03 -36.58 40.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.713 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.7 -35.42 0.48 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.194 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -47.59 48.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.754 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.83 HD12 HD23 ' A' ' 111' ' ' LEU . 27.9 mt -61.84 -7.79 4.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 106.79 56.61 0.63 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.546 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.539 ' CG ' ' HB3' ' A' ' 111' ' ' LEU . 11.6 m-85 -130.24 173.25 10.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.032 0.444 . . . . 0.0 110.913 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -126.69 137.76 53.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.961 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -109.64 141.8 41.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.987 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 120' ' ' GLY . 4.6 tp10 -99.25 122.79 42.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.075 0.464 . . . . 0.0 110.817 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 119' ' ' GLU . . . -37.81 -63.82 0.83 Allowed Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -99.59 129.18 45.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.889 0.376 . . . . 0.0 110.828 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.55 ' CZ ' ' O ' ' A' ' 43' ' ' LEU . 34.7 t80 -95.11 153.52 17.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.81 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 91.0 t -136.33 121.68 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.177 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.41 ' HB3' ' OD2' ' A' ' 97' ' ' ASP . . . -95.75 104.91 16.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.037 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.54 ' C ' HD12 ' A' ' 126' ' ' ILE . 5.4 p-80 -140.65 167.64 21.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.54 HD12 ' C ' ' A' ' 125' ' ' HIS . 4.4 mp -137.43 106.31 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.908 0.385 . . . . 0.0 111.052 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 93.2 m -63.53 109.4 1.63 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 65.3 mt -74.95 -37.14 62.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.12 0.486 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 172.41 170.19 35.94 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.504 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.474 ' HG3' HG22 ' A' ' 89' ' ' VAL . 2.3 mpp_? -110.09 147.46 33.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.701 0.286 . . . . 0.0 111.114 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.0 t -90.81 114.46 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.932 0.396 . . . . 0.0 111.19 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.407 ' N ' ' HD2' ' A' ' 132' ' ' LYS . 0.0 OUTLIER -82.23 -55.83 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.899 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -163.9 135.55 4.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.635 HG11 HD11 ' A' ' 140' ' ' LEU . 2.4 p -132.38 152.85 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.278 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 34.6 tttp -107.92 -46.09 3.85 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.765 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -89.52 101.46 14.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.984 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 138' ' ' LEU . 3.1 mmmm -67.35 -57.71 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.775 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 137' ' ' LYS . 40.7 mt -37.86 -51.15 1.3 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.039 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -46.37 -41.38 11.91 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.632 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.635 HD11 HG11 ' A' ' 134' ' ' VAL . 76.8 mt -56.07 -59.14 5.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.995 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.2 -58.36 6.19 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.12 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.6 mmt -44.47 -33.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.752 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -78.51 -54.18 6.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.963 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 148' ' ' ALA . 40.6 mt -39.57 -57.72 1.42 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.828 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm -40.17 -41.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -68.34 -40.5 81.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.044 0.45 . . . . 0.0 110.798 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.482 ' CD2' ' HB1' ' A' ' 20' ' ' ALA . 4.8 mp -108.83 30.94 6.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.959 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 144' ' ' LEU . . . -75.78 -49.83 16.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.094 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -133.07 25.69 4.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -56.47 132.21 50.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -76.74 130.4 37.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.009 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.502 ' HB2' HG13 ' A' ' 75' ' ' VAL . 18.7 m-85 -102.57 -37.18 8.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.846 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 138.87 -164.54 25.77 Favored Glycine 0 CA--C 1.512 -0.13 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.524 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.2 p -132.02 174.19 10.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.841 0.353 . . . . 0.0 110.981 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -175.37 144.17 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.671 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.503 HG23 ' O ' ' A' ' 71' ' ' HIS . 50.2 mt -99.03 126.39 52.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.964 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.821 HG22 HG21 ' A' ' 7' ' ' ILE . 53.4 t -71.93 92.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.139 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.474 ' HG2' ' CE ' ' A' ' 70' ' ' LYS . 3.6 mt-10 -93.91 -68.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.797 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.655 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -99.44 169.7 9.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.111 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 16.9 mt -140.49 154.2 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -146.98 135.96 22.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.007 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.759 HD12 ' O ' ' A' ' 4' ' ' PHE . 12.5 tp -94.22 132.63 38.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 163' ' ' LYS . . . . . 0.586 ' HD2' ' CE1' ' A' ' 40' ' ' HIS . 10.6 mttm -117.73 144.13 45.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.436 ' HD3' HD21 ' A' ' 177' ' ' LEU . 11.6 pttm -111.62 145.53 39.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.066 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 28.8 t -125.33 124.67 42.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.134 0.492 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 66.3 m -137.38 105.35 5.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.005 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.44 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 23.7 mt -71.19 131.61 43.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 47.1 p -134.39 155.8 79.46 Favored Pre-proline 0 C--O 1.235 0.329 0 CA-C-O 121.498 0.666 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_exo -47.95 -33.08 19.3 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.745 2.297 . . . . 0.0 112.452 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -80.26 -24.51 40.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 149.98 172.12 19.06 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.379 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 172' ' ' PRO . . . . . 0.44 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 55.2 Cg_endo -69.6 132.03 22.72 Favored 'Trans proline' 0 CA--C 1.529 0.232 0 C-N-CA 122.832 2.355 . . . . 0.0 112.264 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 48.9 mm -99.18 130.28 48.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.019 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 174' ' ' TYR . . . . . 0.578 ' CD2' ' ND2' ' A' ' 38' ' ' ASN . 5.5 m-85 -136.22 118.94 16.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -156.16 145.22 20.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 14.5 m -74.75 134.38 41.86 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.436 HD21 ' HD3' ' A' ' 164' ' ' LYS . 20.5 mt -98.52 -32.48 11.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.43 ' HB1' ' CZ ' ' A' ' 180' ' ' PHE . . . -141.24 128.51 21.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.026 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 179' ' ' ARG . . . . . 0.405 ' NH2' ' HB2' ' A' ' 181' ' ' GLU . 0.0 OUTLIER -118.26 105.03 11.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.973 0.416 . . . . 0.0 110.849 -179.798 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.655 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 11.0 m-85 -101.62 98.04 8.39 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.744 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 181' ' ' GLU . . . . . 0.405 ' HB2' ' NH2' ' A' ' 179' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.544 ' HE2' ' HB ' ' A' ' 49' ' ' ILE . 6.3 ptt? . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.802 0.334 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -87.07 71.34 10.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 1.05 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -69.74 140.57 53.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.584 ' O ' HD12 ' A' ' 162' ' ' LEU . 3.3 p90 -156.11 139.4 15.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.737 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.503 ' CG2' HD13 ' A' ' 162' ' ' LEU . 44.1 pt -93.33 144.07 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.09 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.598 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -141.25 161.37 38.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.853 HG21 HG22 ' A' ' 157' ' ' VAL . 52.9 mt -104.71 138.68 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.067 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -59.21 141.63 53.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.009 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 9' ' ' VAL . 11.4 m -123.37 89.58 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.93 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.4 t -41.34 162.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.649 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -46.52 -44.31 17.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.0 p -39.75 -33.24 0.18 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.755 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.445 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 76.5 t -95.48 -55.05 6.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.0 mtt180 -42.45 -63.79 0.71 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.732 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -35.82 69.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -58.76 -52.54 65.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.1 mt -63.47 -48.57 77.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -57.21 -40.81 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.019 0.437 . . . . 0.0 111.232 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.8 ttm-85 -48.7 -45.37 39.08 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.34 -49.01 71.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.251 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.432 ' OE1' ' CD1' ' A' ' 33' ' ' PHE . 23.3 mt-30 -45.43 -58.4 3.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.18 -42.59 2.1 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -74.15 -43.26 58.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.3 mt -53.09 -50.85 43.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.917 0.389 . . . . 0.0 111.005 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.95 151.76 0.02 OUTLIER Glycine 0 C--O 1.228 -0.242 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.46 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 90.7 p -115.57 41.5 2.49 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.018 0.437 . . . . 0.0 110.96 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -83.4 -59.76 2.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -76.62 -48.42 19.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.89 151.27 21.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.038 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -105.36 84.77 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.807 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.426 HG12 HG22 ' A' ' 131' ' ' VAL . 38.1 mt -108.79 134.35 51.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.079 0.466 . . . . 0.0 111.027 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -97.13 90.95 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.946 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.432 ' CD1' ' OE1' ' A' ' 21' ' ' GLN . 16.5 m-85 -60.67 174.86 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.74 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.582 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 40.6 t -123.41 148.64 27.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.06 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -41.0 159.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.837 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -44.93 68.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.992 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.1 22.48 0.96 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.997 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -125.11 9.09 8.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.582 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 20.9 m-85 -93.24 4.59 53.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.013 0.435 . . . . 0.0 110.959 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.598 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 2.9 p80 -46.79 123.0 4.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 66.1 mt -50.97 115.18 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.237 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.1 m -70.05 81.84 0.5 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.992 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -39.51 -57.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.526 ' HE3' HD23 ' A' ' 46' ' ' LEU . 29.0 tttp -151.73 141.36 21.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -93.41 139.62 30.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.81 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.526 HD23 ' HE3' ' A' ' 44' ' ' LYS . 8.7 mt -110.32 -63.37 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.965 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 106.11 -130.07 10.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.457 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -71.47 132.5 44.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.877 0.37 . . . . 0.0 110.769 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.05 HD12 ' HB3' ' A' ' 3' ' ' ALA . 35.5 mt -149.19 145.0 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.25 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' GLU . 19.1 p -88.03 135.99 33.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.131 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -39.53 -27.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.98 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' THR . 18.3 mt-10 -76.06 -62.16 1.69 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.41 -33.09 52.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.157 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -40.15 -39.66 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' A' ' 56' ' ' GLU . 7.7 pt-20 -71.08 -43.27 68.08 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 55' ' ' GLU . 0.7 OUTLIER -48.36 -38.09 18.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.94 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.637 HG13 HD21 ' A' ' 111' ' ' LEU . 1.8 mp -61.84 -40.61 87.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.186 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.593 ' HE3' HD23 ' A' ' 162' ' ' LEU . 4.6 mptt -61.41 -66.63 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.116 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 58' ' ' LYS . 58.6 mmtt -34.86 -51.34 0.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.038 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 90.3 mt -53.91 -51.99 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.44 -35.87 80.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.971 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 66' ' ' LYS . 5.9 tp10 -49.66 -31.08 10.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.126 0.488 . . . . 0.0 111.009 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 59' ' ' LYS . 1.4 mptp? -94.36 -46.89 6.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.699 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.84 HG21 HG23 ' A' ' 103' ' ' ILE . 46.3 mt -50.76 -48.94 27.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.158 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.443 ' HB2' HD12 ' A' ' 160' ' ' ILE . . . -60.73 -10.19 5.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -101.29 -52.63 3.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.822 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.408 ' CG ' ' HA ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -63.66 -9.41 13.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -116.49 156.54 26.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.998 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -107.03 -177.47 3.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.434 ' HB2' HG22 ' A' ' 156' ' ' ILE . 0.0 OUTLIER -115.1 106.25 13.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.612 ' CE1' ' CG1' ' A' ' 73' ' ' VAL . 0.6 OUTLIER -93.34 157.55 16.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.809 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -94.44 102.87 14.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.073 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.612 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 35.3 m -105.0 172.1 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.998 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -121.17 160.77 23.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.647 HG13 ' HB2' ' A' ' 152' ' ' PHE . 3.0 p -124.08 109.64 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.172 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.5 ttp85 -157.8 143.56 17.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.81 145.84 15.37 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.533 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 91' ' ' TRP . 43.2 mt -142.16 133.16 25.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-O 120.826 0.346 . . . . 0.0 111.098 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.446 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -113.98 166.38 12.14 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.56 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.3 m -134.56 166.79 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.109 0.481 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.544 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 13.4 m-85 -150.62 152.62 32.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.678 0.752 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.6 Cg_endo -69.7 -20.36 10.73 Favored 'Cis proline' 0 C--N 1.343 0.242 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.538 -0.172 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -166.41 161.62 12.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.555 0.693 . . . . 0.0 110.914 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -48.09 -62.72 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.213 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -38.49 -39.23 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -132.68 93.03 3.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.992 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.4 t -86.54 130.59 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.261 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -124.1 -36.49 2.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.012 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.48 HG22 ' CD ' ' A' ' 130' ' ' ARG . 89.2 t -133.62 123.02 44.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.045 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 63.9 mt -91.2 129.98 41.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.094 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.544 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 40.0 p-90 -145.01 143.96 30.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.885 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -94.38 167.48 11.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.44 155.72 18.3 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.623 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 87.8 t -111.0 145.03 17.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.746 0.307 . . . . 0.0 111.017 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.512 ' O ' ' C ' ' A' ' 96' ' ' ASN . 35.8 mt-10 -70.98 -176.57 1.4 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.801 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.512 ' C ' ' O ' ' A' ' 95' ' ' GLU . 13.7 p-10 -27.3 101.06 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.981 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.539 ' HB2' HD12 ' A' ' 100' ' ' ILE . 2.0 p30 -118.1 51.98 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.691 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -52.28 -70.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.714 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.438 ' HB ' ' CE1' ' A' ' 71' ' ' HIS . 43.8 mm -40.15 -61.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.178 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.539 HD12 ' HB2' ' A' ' 97' ' ' ASP . 75.9 mt -42.55 -40.62 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -63.65 -44.97 92.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.971 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -58.99 -57.39 13.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.84 HG23 HG21 ' A' ' 64' ' ' ILE . 81.2 mt -54.93 -37.47 41.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.47 -39.61 88.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.991 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -76.02 -34.22 59.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -69.93 -41.48 74.54 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.777 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.54 ' CD1' HG22 ' A' ' 103' ' ' ILE . 64.0 mt -60.46 -38.2 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 109' ' ' ASP . 21.9 t0 -79.22 -51.42 9.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.691 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 108' ' ' ASP . 1.9 t70 -34.17 -39.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.099 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -79.68 -52.98 7.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.673 HD23 HD12 ' A' ' 114' ' ' LEU . 49.8 mt -49.4 -45.97 46.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.839 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 111' ' ' LEU . . . -34.55 -35.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.981 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 111' ' ' LEU . 0.3 OUTLIER -74.02 -46.08 45.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.836 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.673 HD12 HD23 ' A' ' 111' ' ' LEU . 42.7 mt -63.25 -25.86 68.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.061 0.457 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 122.01 62.97 0.22 Allowed Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.435 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.461 ' CG ' ' HB3' ' A' ' 111' ' ' LEU . 37.2 m-85 -136.19 151.97 50.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.759 0.314 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 118' ' ' LYS . 20.3 tptt -87.89 146.98 25.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.799 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 117' ' ' LYS . 9.7 ttmt -115.07 138.79 50.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.04 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -99.88 123.38 44.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -43.19 -66.66 1.13 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -99.96 146.37 26.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.875 0.369 . . . . 0.0 111.008 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -99.94 149.49 23.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.68 121.07 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.176 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.19 105.81 17.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -141.02 165.12 28.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.925 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.55 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.1 mp -136.81 108.72 6.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.055 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 85.2 m -62.85 115.9 4.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.953 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 40.8 mt -79.67 -36.45 37.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.012 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -179.48 -174.49 45.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.472 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.48 ' CD ' HG22 ' A' ' 89' ' ' VAL . 3.9 mmm180 -121.53 137.11 54.87 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.799 0.333 . . . . 0.0 110.948 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.426 HG22 HG12 ' A' ' 31' ' ' ILE . 58.5 t -89.28 110.82 22.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.271 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.81 -56.69 3.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.811 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -155.07 135.06 12.95 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.404 HG11 HD21 ' A' ' 140' ' ' LEU . 2.6 p -139.75 147.93 23.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.283 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -107.35 -51.03 2.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -66.49 88.28 0.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.821 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -58.67 -62.05 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 63.6 mt -42.14 -43.58 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -47.51 -46.12 23.16 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.658 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.404 HD21 HG11 ' A' ' 134' ' ' VAL . 42.8 mt -45.98 -56.27 5.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.996 0.426 . . . . 0.0 111.078 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -73.52 -61.24 1.9 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.223 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 141' ' ' ALA . 13.6 mmt -37.12 -43.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.795 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -71.4 -58.28 3.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 37.0 mt -37.57 -59.76 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.004 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp -42.88 -53.33 4.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -56.2 -43.91 78.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.791 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.9 mp -95.05 33.27 1.54 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.747 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -98.88 -35.05 10.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.145 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 150' ' ' GLU . 2.3 m120 -112.18 -26.28 8.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 149' ' ' ASN . 8.5 tm-20 -35.94 106.47 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.81 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -67.04 146.93 53.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.72 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.647 ' HB2' HG13 ' A' ' 75' ' ' VAL . 36.7 m-85 -109.01 -36.61 6.03 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 140.19 -167.44 25.45 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 36.3 p -137.61 168.1 20.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.822 0.344 . . . . 0.0 110.986 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -171.94 160.67 5.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.804 0.335 . . . . 0.0 111.049 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.434 HG22 ' HB2' ' A' ' 70' ' ' LYS . 66.9 mt -110.65 125.07 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-O 120.986 0.422 . . . . 0.0 111.207 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.853 HG22 HG21 ' A' ' 7' ' ' ILE . 53.2 t -76.77 97.93 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.246 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -100.18 -63.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -93.81 165.98 12.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' ILE . . . . . 0.443 HD12 ' HB2' ' A' ' 65' ' ' ALA . 34.7 mt -126.43 142.46 42.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.28 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -122.28 153.64 38.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.078 0.466 . . . . 0.0 110.704 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.593 HD23 ' HE3' ' A' ' 58' ' ' LYS . 13.2 tp -143.38 134.3 25.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.957 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -140.06 156.51 46.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.047 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.647 ' HB3' HD11 ' A' ' 177' ' ' LEU . 3.3 pttp -113.58 143.08 45.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 5.9 m -120.72 120.13 34.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.163 0.506 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 97.8 m -135.27 102.42 5.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.07 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 167' ' ' LEU . 11.6 mt -68.35 134.69 50.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 46.4 p -137.76 155.29 75.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.556 0.693 . . . . 0.0 111.521 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -47.99 -31.56 16.15 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.302 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -80.08 -33.43 38.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 158.06 171.66 24.26 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.454 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.64 128.24 15.85 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.551 2.168 . . . . 0.0 112.316 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 46.5 mm -98.28 119.43 46.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.978 0.418 . . . . 0.0 111.129 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -128.79 113.27 15.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.499 ' CG ' ' HE3' ' A' ' 164' ' ' LYS . 4.1 pt-20 -144.67 148.99 34.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 3.5 m -76.6 144.72 39.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.184 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.647 HD11 ' HB3' ' A' ' 164' ' ' LYS . 61.8 mt -112.2 -35.51 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.549 ' HB2' ' CE ' ' A' ' 58' ' ' LYS . . . -147.31 133.29 19.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -135.96 109.45 7.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -111.95 97.86 6.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.835 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 ptt? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.948 0.404 . . . . 0.0 110.719 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -91.64 70.01 5.76 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.958 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . . . -67.34 152.75 45.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.082 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.656 ' O ' HD12 ' A' ' 162' ' ' LEU . 19.8 p90 -168.73 140.84 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.629 HD11 ' HB3' ' A' ' 44' ' ' LYS . 30.9 pt -91.06 147.79 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.164 0.507 . . . . 0.0 111.049 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.59 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -146.31 169.04 19.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.041 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.111 HG21 HG22 ' A' ' 157' ' ' VAL . 63.0 mt -113.62 120.01 62.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.202 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -49.31 126.67 13.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 m -105.36 91.06 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.0 t -41.48 163.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' SER . 34.4 mm-40 -47.97 -44.94 30.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' GLU . 78.1 p -36.93 -46.94 0.67 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.635 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 84.4 t -83.11 -57.0 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -38.67 -63.87 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.25 -27.51 55.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.859 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -63.18 -55.9 21.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.468 ' HA ' ' CE1' ' A' ' 152' ' ' PHE . 72.0 mt -63.62 -47.92 79.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.725 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.715 HG21 ' HD3' ' A' ' 36' ' ' ARG . 87.0 t -55.71 -36.88 44.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.999 0.428 . . . . 0.0 111.186 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.5 ttm-85 -52.95 -46.0 67.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.804 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.478 ' HB1' HD21 ' A' ' 147' ' ' LEU . . . -65.05 -46.17 82.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.528 ' OE1' ' CD1' ' A' ' 33' ' ' PHE . 16.1 mt-30 -46.46 -58.02 4.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -42.03 -38.99 1.79 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.752 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -74.32 -31.09 62.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 21' ' ' GLN . 67.4 mt -70.4 -60.83 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.47 156.95 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.343 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.4 p -112.02 55.34 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.99 0.424 . . . . 0.0 111.032 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -84.65 -50.7 7.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.492 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 2.0 pm0 -99.35 -40.99 7.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.492 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -100.91 152.92 19.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.094 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -105.78 105.64 15.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.726 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.6 mt -133.14 130.24 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.173 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -99.62 100.66 11.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.528 ' CD1' ' OE1' ' A' ' 21' ' ' GLN . 20.8 m-85 -67.26 175.04 2.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.785 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.551 ' HB ' ' CE1' ' A' ' 39' ' ' PHE . 49.1 t -113.98 148.75 16.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.078 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -46.06 170.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.833 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.715 ' HD3' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -77.22 -41.8 39.87 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.935 -179.873 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -85.31 25.68 0.98 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.412 ' OD1' ' CD2' ' A' ' 174' ' ' TYR . 3.1 m-80 -131.96 12.13 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.792 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.551 ' CE1' ' HB ' ' A' ' 34' ' ' VAL . 17.3 m-85 -97.62 6.43 48.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.996 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.59 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 5.1 p80 -53.42 124.47 14.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 62.1 mt -55.47 118.15 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.216 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.5 m -71.45 87.21 0.87 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.181 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 tt -47.41 -54.19 11.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.629 ' HB3' HD11 ' A' ' 5' ' ' ILE . 1.3 tmtp? -152.81 121.32 6.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -77.97 131.61 37.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.603 ' CB ' HD11 ' A' ' 49' ' ' ILE . 12.7 mt -99.99 -65.78 0.94 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.765 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.87 -129.67 9.92 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.607 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.25 125.14 23.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.9 0.381 . . . . 0.0 110.979 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.958 ' CD1' ' HB3' ' A' ' 3' ' ' ALA . 38.4 mt -147.84 153.0 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.402 ' N ' HG22 ' A' ' 49' ' ' ILE . 61.8 p -102.2 146.33 28.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -48.78 -20.21 0.45 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -85.98 -69.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.536 ' OE1' HD22 ' A' ' 114' ' ' LEU . 15.3 mm-40 -42.88 -29.5 0.33 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.08 -52.0 22.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.16 -26.31 66.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 0.8 OUTLIER -64.53 -42.78 95.55 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.785 -179.813 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.94 HG13 HD21 ' A' ' 111' ' ' LEU . 2.5 mp -62.94 -45.21 99.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.265 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.459 ' CE ' ' HB2' ' A' ' 178' ' ' ALA . 50.9 mttp -44.99 -64.46 0.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.03 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 56' ' ' GLU . 14.9 ptmt -49.34 -44.74 44.84 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.899 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 57' ' ' ILE . 82.1 mt -55.36 -45.21 77.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 62' ' ' GLU . 41.9 mt -70.87 -56.58 5.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.791 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 61' ' ' LEU . 23.5 tp10 -36.3 -36.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.802 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -83.98 -51.49 7.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.839 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 80.1 mt -53.79 -57.23 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.361 . . . . 0.0 111.187 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.458 ' HB2' HD12 ' A' ' 160' ' ' ILE . . . -59.75 -9.06 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.122 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -97.65 -35.24 10.65 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.506 ' HG3' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -78.39 -17.6 56.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.981 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.509 ' CG ' HG12 ' A' ' 103' ' ' ILE . 50.4 m-85 -103.29 158.22 16.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -99.99 -178.74 3.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.034 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.571 ' HB2' HG22 ' A' ' 156' ' ' ILE . 0.0 OUTLIER -117.56 109.25 16.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.069 0.461 . . . . 0.0 111.052 179.691 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -98.34 137.53 36.92 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.771 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -74.3 99.92 3.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.815 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.9 m -99.13 175.59 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 75' ' ' VAL . 6.6 t-20 -127.8 163.32 24.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.055 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.479 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 1.5 p -126.93 116.0 43.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.317 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -158.41 149.56 20.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.862 -179.811 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.462 ' N ' ' HD3' ' A' ' 76' ' ' ARG . . . 92.2 144.4 13.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.308 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.597 HG23 ' O ' ' A' ' 91' ' ' TRP . 96.5 mt -140.02 141.69 33.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.794 0.33 . . . . 0.0 111.16 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.3 174.47 15.42 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.465 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.434 HG21 ' HA ' ' A' ' 84' ' ' PRO . 33.6 m -139.27 161.58 28.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.849 0.357 . . . . 0.0 111.049 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.705 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 12.0 m-85 -143.13 154.16 60.98 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 121.667 0.746 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.4 Cg_endo -69.61 -20.38 10.62 Favored 'Cis proline' 0 C--N 1.343 0.279 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.315 -0.114 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -165.52 160.42 13.86 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.538 0.685 . . . . 0.0 110.964 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.434 ' HA ' HG21 ' A' ' 80' ' ' VAL . 63.4 Cg_exo -47.8 -57.16 2.49 Favored 'Trans proline' 0 CA--C 1.526 0.09 0 C-N-CA 122.76 2.307 . . . . 0.0 112.395 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -41.34 -40.68 1.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.744 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -131.97 96.58 3.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.057 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.0 t -86.83 130.49 36.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -127.52 -35.26 2.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 94.2 t -135.39 122.13 34.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.067 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 64.3 mt -91.46 136.02 25.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.258 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.705 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 29.7 p-90 -150.89 141.13 22.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.038 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.74 166.84 12.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.014 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -126.35 159.49 20.67 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.382 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 90.4 t -109.8 147.47 14.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.869 0.366 . . . . 0.0 111.166 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.509 ' O ' ' C ' ' A' ' 96' ' ' ASN . 5.0 mm-40 -70.87 -176.53 1.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.509 ' C ' ' O ' ' A' ' 95' ' ' GLU . 3.9 t-20 -28.88 103.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.774 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.501 ' HB2' HD12 ' A' ' 100' ' ' ILE . 2.7 p30 -126.96 50.63 1.95 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.65 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -59.37 -50.03 75.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 42.7 mm -53.82 -40.44 43.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.204 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.501 HD12 ' HB2' ' A' ' 97' ' ' ASP . 55.3 mt -73.09 -15.05 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.136 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -85.87 -52.24 5.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.997 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -60.61 -35.19 75.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.022 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.509 HG12 ' CG ' ' A' ' 68' ' ' TYR . 86.4 mt -65.77 -49.24 78.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.047 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.426 ' CB ' ' CE2' ' A' ' 122' ' ' PHE . . . -55.62 -41.0 72.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.19 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -58.98 -35.56 73.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.776 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -72.86 -40.78 65.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 72.9 mt -66.18 -33.65 64.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.101 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.489 ' CG ' ' HZ2' ' A' ' 44' ' ' LYS . 20.2 t0 -82.13 -41.72 20.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.957 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -55.3 -27.93 50.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.718 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -85.14 -45.23 12.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 110.743 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.96 HD23 HD12 ' A' ' 114' ' ' LEU . 65.9 mt -62.96 -35.0 78.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -41.37 -34.26 0.5 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.036 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -73.74 -41.92 61.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.96 HD12 HD23 ' A' ' 111' ' ' LEU . 78.7 mt -63.18 -25.87 68.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 119.36 55.6 0.26 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.694 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 111' ' ' LEU . 78.4 m-85 -128.76 166.22 19.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.931 0.396 . . . . 0.0 110.905 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -85.45 150.54 24.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.811 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.76 115.23 24.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.817 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -88.89 116.3 27.07 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.47 -59.83 9.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.556 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -91.96 127.82 37.57 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.803 0.335 . . . . 0.0 110.822 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.426 ' CE2' ' CB ' ' A' ' 104' ' ' ALA . 11.2 t80 -98.95 142.76 30.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.026 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 84.4 t -143.33 131.89 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.66 110.6 23.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -144.66 161.12 39.96 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.829 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.548 ' N ' HD12 ' A' ' 126' ' ' ILE . 3.7 mp -134.55 100.21 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.052 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 86.6 m -54.29 118.91 4.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.939 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.408 ' O ' HG23 ' A' ' 34' ' ' VAL . 53.1 mt -80.8 -42.05 22.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 179.88 -171.4 42.9 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.545 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.447 ' HD2' ' N ' ' A' ' 130' ' ' ARG . 2.8 mpt_? -125.51 152.65 44.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.794 0.33 . . . . 0.0 110.975 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 88.7 t -101.51 121.66 52.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.291 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -92.53 -49.44 6.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 133' ' ' PHE . 4.7 p90 -163.06 139.38 7.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.696 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.4 p -139.23 148.74 23.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.983 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -104.14 -48.35 3.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.83 108.01 8.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -71.68 -65.59 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 32.3 mt -40.54 -44.83 2.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -45.31 -48.86 10.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.365 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 47.6 mt -45.97 -63.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.695 0.284 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -64.09 -62.92 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.241 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 141' ' ' ALA . 14.3 mmt -36.53 -45.31 0.49 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 146' ' ' GLU . 2.9 ttmm -68.23 -57.05 6.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.833 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 33.9 mt -37.87 -48.36 1.13 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.923 0.392 . . . . 0.0 110.986 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.46 ' HE3' ' N ' ' A' ' 145' ' ' LYS . 0.2 OUTLIER -56.41 -41.06 75.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.792 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.455 ' C ' HD12 ' A' ' 147' ' ' LEU . 7.8 mm-40 -63.68 -33.97 76.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.839 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.478 HD21 ' HB1' ' A' ' 20' ' ' ALA . 5.9 mp -112.03 38.55 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -98.72 -30.09 12.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.312 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 150' ' ' GLU . 2.3 m-80 -125.66 -13.27 6.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.675 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 149' ' ' ASN . 2.2 tt0 -37.55 131.05 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.944 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -84.17 144.93 28.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.468 ' CE1' ' HA ' ' A' ' 17' ' ' LEU . 37.6 m-85 -113.95 -33.87 5.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 133.91 -165.89 24.14 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.597 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 25.0 p -141.86 165.52 27.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.67 0.271 . . . . 0.0 110.954 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -168.25 173.47 7.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.571 HG22 ' HB2' ' A' ' 70' ' ' LYS . 56.3 mt -117.44 134.02 62.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 1.111 HG22 HG21 ' A' ' 7' ' ' ILE . 22.3 t -90.44 95.89 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.124 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -97.93 -70.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.81 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.431 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -89.31 171.2 9.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.184 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 160' ' ' ILE . . . . . 0.458 HD12 ' HB2' ' A' ' 65' ' ' ALA . 78.5 mt -132.42 141.78 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -122.03 117.59 26.72 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.82 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 4' ' ' PHE . 14.9 tp -96.24 122.64 39.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.791 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 61.6 mttt -124.77 151.87 44.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.797 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.64 ' HB3' HD11 ' A' ' 177' ' ' LEU . 12.6 pttt -118.37 154.63 32.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.932 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 8.7 t -126.8 134.78 50.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 62.6 m -138.9 105.57 5.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.115 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.416 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 23.0 mt -72.61 130.92 41.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 81.2 p -133.39 156.35 79.84 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-O 121.509 0.671 . . . . 0.0 111.188 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -48.26 -32.02 18.5 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.719 2.279 . . . . 0.0 112.287 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.31 -27.48 38.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.82 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 152.73 173.04 21.74 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 172' ' ' PRO . . . . . 0.416 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 53.0 Cg_endo -69.75 126.8 13.75 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.493 2.129 . . . . 0.0 112.386 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 7.7 mm -99.49 138.79 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.018 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 174' ' ' TYR . . . . . 0.412 ' CD2' ' OD1' ' A' ' 38' ' ' ASN . 5.6 m-85 -138.36 131.7 30.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.808 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -160.75 147.83 15.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.058 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 24.5 m -73.28 149.62 42.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.218 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.64 HD11 ' HB3' ' A' ' 164' ' ' LYS . 49.1 mt -107.45 -32.87 7.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.0 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.459 ' HB2' ' CE ' ' A' ' 58' ' ' LYS . . . -174.36 129.61 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.122 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.64 112.94 24.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.981 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 180' ' ' PHE . . . . . 0.431 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 10.6 m-85 -96.26 97.57 9.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.763 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 47' ' ' GLY . 3.0 tpt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.622 0.248 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.434 ' CB ' ' O ' ' A' ' 165' ' ' SER . 11.6 ttp180 -72.56 66.25 0.7 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.761 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.463 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -63.97 155.0 32.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.136 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 4' ' ' PHE . 17.8 p90 -175.03 128.56 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.851 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.813 HD11 ' HB3' ' A' ' 44' ' ' LYS . 16.6 pt -87.36 132.25 33.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -130.8 170.89 13.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.862 HG21 HG22 ' A' ' 157' ' ' VAL . 41.5 mt -110.51 122.04 64.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.025 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -50.0 133.5 22.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.886 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 9' ' ' VAL . 25.0 m -111.72 87.38 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 t -39.01 153.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 12' ' ' SER . 26.3 mt-10 -37.71 -50.1 1.18 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 11' ' ' GLU . 88.9 p -34.3 -44.99 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.79 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.487 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 90.4 t -89.36 -62.84 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.119 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.511 ' O ' HG23 ' A' ' 18' ' ' VAL . 16.5 ttm180 -34.86 -58.82 0.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -38.18 83.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.774 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -50.14 -67.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.8 mt -45.42 -41.58 9.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.995 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 14' ' ' ARG . 64.4 t -59.31 -43.7 90.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.043 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.2 ttm-85 -53.26 -41.67 65.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.25 -46.77 69.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.525 ' OE1' ' CD1' ' A' ' 33' ' ' PHE . 22.8 mt-30 -55.69 -50.37 70.46 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -49.8 -42.41 46.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.786 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -67.89 -33.46 74.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.7 mt -71.91 -68.83 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.21 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.8 164.46 3.43 Favored Glycine 0 C--O 1.229 -0.167 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.32 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.2 p -109.9 43.49 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 110.758 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -64.35 -62.69 1.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -96.46 -47.01 6.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.82 142.96 27.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.967 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -96.29 104.57 16.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.607 HG12 HG22 ' A' ' 131' ' ' VAL . 11.8 mt -129.62 118.75 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.041 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -88.07 87.34 7.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.98 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.525 ' CD1' ' OE1' ' A' ' 21' ' ' GLN . 17.2 m-85 -59.24 164.1 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.514 HG12 ' N ' ' A' ' 35' ' ' GLU . 57.5 t -100.28 158.78 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.201 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.514 ' N ' HG12 ' A' ' 34' ' ' VAL . 8.6 mm-40 -50.4 159.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.082 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -69.73 -45.54 67.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -83.56 23.37 0.96 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -126.36 9.36 7.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -86.34 9.26 18.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.965 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.486 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 6.2 p-80 -54.54 133.1 46.1 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.967 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.8 mt -69.72 120.37 17.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.35 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 84.0 m -71.95 105.55 3.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.451 ' O ' HD23 ' A' ' 43' ' ' LEU . 4.5 tt -74.33 -53.1 10.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.987 0.422 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.813 ' HB3' HD11 ' A' ' 5' ' ' ILE . 21.6 tptt -144.87 121.19 10.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -84.07 129.57 34.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.818 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.529 ' HB3' HD11 ' A' ' 49' ' ' ILE . 14.8 mt -108.04 -48.86 3.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.799 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 83.97 -137.35 15.93 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.35 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.426 ' CD ' ' N ' ' A' ' 49' ' ' ILE . 3.4 tm-20 -65.29 140.49 58.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.077 0.465 . . . . 0.0 110.814 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.529 HD11 ' HB3' ' A' ' 46' ' ' LEU . 12.9 mt -155.5 158.52 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.073 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.424 ' N ' HG22 ' A' ' 49' ' ' ILE . 72.6 p -98.42 148.58 23.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.108 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -52.33 -23.88 6.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.082 0.468 . . . . 0.0 111.117 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -81.42 -39.39 25.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.666 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -75.68 -33.09 60.36 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.801 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -42.63 -34.34 0.87 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.136 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -75.33 -38.45 60.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.877 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -54.21 -57.71 10.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.748 ' H ' HD12 ' A' ' 57' ' ' ILE . 4.0 mp -45.38 -45.93 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.201 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.81 ' HE3' ' HB2' ' A' ' 178' ' ' ALA . 60.6 mttp -53.14 -55.55 23.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.193 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' A' ' 59' ' ' LYS . 2.7 mptp? -45.62 -54.76 7.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.859 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.441 HG22 ' CD1' ' A' ' 64' ' ' ILE . 83.8 mt -51.59 -48.12 36.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.225 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 58' ' ' LYS . 26.7 mt -58.78 -47.78 83.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.073 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -52.68 -32.69 43.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.849 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -84.53 -60.29 2.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.465 HD12 HG12 ' A' ' 107' ' ' ILE . 61.5 mt -48.85 -60.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.088 0.471 . . . . 0.0 111.195 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.22 -13.38 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.053 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -96.57 -22.31 17.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.449 ' HG3' ' CD1' ' A' ' 68' ' ' TYR . 15.3 ptpt -90.28 -16.36 29.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.73 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.567 ' CE2' HG13 ' A' ' 103' ' ' ILE . 52.7 m-85 -103.1 168.7 9.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -112.33 -174.93 2.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.491 ' HB3' HG22 ' A' ' 156' ' ' ILE . 8.3 mptt -107.32 98.45 8.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.707 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.462 ' O ' HG23 ' A' ' 156' ' ' ILE . 21.3 t-80 -86.81 161.7 18.21 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.998 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -109.05 102.05 11.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 33.3 m -105.47 179.6 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.033 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -137.56 148.8 46.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.802 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.604 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.1 p -106.42 112.71 40.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.072 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.417 ' NE ' ' OE2' ' A' ' 95' ' ' GLU . 0.6 OUTLIER -156.88 152.59 26.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.1 139.99 5.53 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.633 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.495 HD11 ' HZ ' ' A' ' 152' ' ' PHE . 45.0 mt -134.24 134.67 55.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 0.0 111.068 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.463 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -115.01 156.61 15.55 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.618 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.481 HG11 HD21 ' A' ' 144' ' ' LEU . 34.6 m -126.48 161.28 32.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.75 0.309 . . . . 0.0 111.27 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.704 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 13.1 m-85 -143.55 154.04 59.33 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.775 0.798 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.0 Cg_endo -69.57 -25.3 8.01 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.341 -0.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -159.59 158.63 27.73 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.694 0.759 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.404 ' O ' HG23 ' A' ' 87' ' ' VAL . 61.7 Cg_exo -47.63 -61.74 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.648 2.232 . . . . 0.0 112.483 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -41.2 -33.97 0.42 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.758 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -134.51 88.32 2.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 84' ' ' PRO . 88.2 t -85.28 125.4 40.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -123.47 -28.73 3.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 98.2 t -137.43 116.48 14.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.983 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.466 HD12 HG21 ' A' ' 31' ' ' ILE . 74.0 mt -88.37 132.11 34.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.068 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.704 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 43.0 p-90 -149.06 140.98 23.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.79 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.08 162.94 15.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.78 142.74 14.49 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.55 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 92.3 t -97.9 148.34 5.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.826 0.346 . . . . 0.0 111.272 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 96' ' ' ASN . 13.6 mm-40 -70.83 -176.7 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.468 ' C ' ' O ' ' A' ' 95' ' ' GLU . 7.9 t-20 -32.3 94.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 95' ' ' GLU . 9.9 p-10 -114.35 36.99 3.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.806 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -47.02 -55.2 8.61 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.8 mm -49.98 -45.86 22.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.419 HG22 ' O ' ' A' ' 100' ' ' ILE . 76.4 mt -72.44 -16.16 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.187 0.517 . . . . 0.0 111.195 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.53 ' HA ' ' CD2' ' A' ' 122' ' ' PHE . 0.6 OUTLIER -81.38 -57.45 3.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.935 179.745 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.451 ' N ' ' HD2' ' A' ' 101' ' ' LYS . 12.3 ptpt -56.87 -29.6 63.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.567 HG13 ' CE2' ' A' ' 68' ' ' TYR . 62.8 mt -72.79 -51.17 28.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.268 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.58 -38.06 59.25 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.403 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -73.04 -38.61 66.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -65.0 -42.18 94.73 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.774 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.465 HG12 HD12 ' A' ' 64' ' ' ILE . 43.4 mt -62.81 -38.95 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 111.156 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.516 ' HA ' HD12 ' A' ' 111' ' ' LEU . 33.5 t0 -74.17 -55.71 5.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 108' ' ' ASP . 0.4 OUTLIER -35.29 -41.69 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.814 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -75.07 -43.91 50.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.063 0.459 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.685 HD23 HD12 ' A' ' 114' ' ' LEU . 51.7 mt -56.18 -25.05 45.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -53.16 -34.15 55.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.98 0.419 . . . . 0.0 111.232 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -72.17 -48.35 43.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.685 HD12 HD23 ' A' ' 111' ' ' LEU . 12.7 mt -62.23 -8.07 5.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.047 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 100.85 56.42 0.9 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.487 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -130.83 167.0 19.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.981 0.42 . . . . 0.0 110.792 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -82.17 147.22 29.14 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.953 0.406 . . . . 0.0 110.956 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.498 ' HD3' ' N ' ' A' ' 119' ' ' GLU . 0.5 OUTLIER -100.4 125.4 46.66 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.975 179.758 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.498 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 52.3 mt-10 -99.89 95.92 7.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -51.54 -63.68 4.49 Favored Glycine 0 C--O 1.229 -0.201 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.474 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -100.07 119.57 38.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.923 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.53 ' CD2' ' HA ' ' A' ' 101' ' ' LYS . 19.2 t80 -96.55 137.21 35.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.5 t -131.28 118.52 40.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -81.93 99.94 9.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -137.96 160.22 39.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.621 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.0 mp -134.49 104.81 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.012 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 54.3 m -62.13 121.25 12.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.394 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 73.6 mt -85.72 -37.02 19.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.886 0.374 . . . . 0.0 110.748 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 173.41 164.19 28.26 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.485 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 77.6 mtt-85 -104.16 144.66 31.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 111.003 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.607 HG22 HG12 ' A' ' 31' ' ' ILE . 95.1 t -93.21 123.5 45.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.064 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -91.56 -58.2 2.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.827 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -156.13 138.64 14.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.404 ' CG2' ' N ' ' A' ' 135' ' ' LYS . 1.9 p -138.72 153.0 25.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.126 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.404 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 75.7 tttt -109.21 -43.12 4.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.941 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -84.78 119.22 25.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.67 -57.91 2.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 47.3 mt -39.08 -56.81 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.001 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -40.08 -51.73 3.45 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.735 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 46.0 mt -46.71 -64.78 0.68 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.806 0.336 . . . . 0.0 110.743 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -60.23 -57.66 11.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.415 ' C ' ' O ' ' A' ' 141' ' ' ALA . 7.3 mmt -36.91 -37.1 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.983 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 146' ' ' GLU . 21.1 mtmt -83.35 -53.3 5.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.816 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 63.1 mt -40.9 -34.49 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.009 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.89 -36.82 49.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.838 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 143' ' ' LYS . 73.6 mt-10 -70.78 -48.89 51.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.663 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.9 mp -86.48 14.92 6.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.816 ' HB2' ' O ' ' A' ' 144' ' ' LEU . . . -83.79 -27.48 28.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.202 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -120.32 -16.1 8.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.666 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -46.86 111.49 0.4 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.811 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -69.72 137.52 52.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.604 ' HB2' HG13 ' A' ' 75' ' ' VAL . 58.6 m-85 -102.12 -35.37 8.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 139.92 -177.12 20.79 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.483 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 30.1 p -138.25 169.4 17.85 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.799 0.333 . . . . 0.0 110.79 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -173.93 176.45 2.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.035 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.491 HG22 ' HB3' ' A' ' 70' ' ' LYS . 70.6 mt -118.55 130.8 72.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.862 HG22 HG21 ' A' ' 7' ' ' ILE . 99.3 t -84.57 96.72 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 182' ' ' LEU . 12.5 mt-10 -100.11 -68.46 0.81 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.605 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -90.36 161.61 15.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.079 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 84.2 mt -119.69 148.76 22.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -127.82 127.11 42.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.734 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 178' ' ' ALA . 12.4 tp -108.27 115.87 30.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.805 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -113.96 162.21 16.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.479 ' CE ' ' HG2' ' A' ' 175' ' ' GLU . 0.2 OUTLIER -122.32 145.3 48.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.828 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' A' ' 2' ' ' ARG . 11.3 t -124.76 133.98 52.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.657 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 27.2 m -146.12 106.94 4.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.221 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 13.2 mt -75.43 134.78 40.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.029 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 21.6 p -139.7 155.45 71.45 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 121.698 0.761 . . . . 0.0 111.161 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -48.1 -32.02 17.72 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.478 2.119 . . . . 0.0 112.541 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -80.04 -23.96 41.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 146.98 172.86 17.67 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.467 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.63 131.9 22.4 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.734 2.289 . . . . 0.0 112.36 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 46.3 mm -109.02 143.43 19.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -137.78 121.29 17.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.479 ' HG2' ' CE ' ' A' ' 164' ' ' LYS . 10.9 pt-20 -138.08 143.28 40.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.782 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 6.4 m -79.96 143.41 34.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 67.5 mt -116.67 -41.34 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.81 ' HB2' ' HE3' ' A' ' 58' ' ' LYS . . . -143.46 142.36 31.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.198 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -145.03 108.43 4.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.043 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.605 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 4.7 m-85 -99.34 97.63 8.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.843 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -100.79 111.75 24.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.119 0.485 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 158' ' ' GLU . 21.2 mt -56.81 -63.21 1.28 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 2.2 t -62.43 147.55 48.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -57.51 155.6 9.3 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -63.92 166.15 7.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 33.0 m170 58.28 41.89 22.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.81 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.43 ' CD2' ' H ' ' A' ' 187' ' ' HIS . 8.0 p80 -60.11 -59.08 5.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.791 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 188' ' ' HIS . . . . . 0.403 ' H ' ' CG ' ' A' ' 187' ' ' HIS . 71.5 m-70 -124.78 137.38 54.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -88.59 114.08 24.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 24.0 m170 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 -179.917 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ptt? . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.605 0.241 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -83.03 75.98 9.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.944 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -72.16 155.02 40.7 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.158 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 4' ' ' PHE . 28.7 p90 -171.93 132.32 0.69 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.939 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.724 HD11 ' HB3' ' A' ' 44' ' ' LYS . 39.0 pt -90.26 142.44 12.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.4 ' CB ' ' HB2' ' A' ' 40' ' ' HIS . . . -139.86 168.53 19.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.167 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.937 HG21 HG22 ' A' ' 157' ' ' VAL . 44.1 mt -105.33 128.16 59.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.082 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -58.83 122.36 13.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.773 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 9' ' ' VAL . 35.3 m -104.78 90.93 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.237 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.5 t -39.46 160.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.973 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -45.45 -39.14 6.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.009 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.3 t -39.06 -45.77 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.428 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 70.3 t -78.89 -61.06 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' VAL . 68.9 mtt180 -36.4 -65.29 0.28 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -47.53 -43.54 25.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.751 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -57.67 -55.34 36.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.43 -50.87 71.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.534 HG21 ' HD3' ' A' ' 36' ' ' ARG . 85.6 t -53.47 -41.36 44.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.059 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -48.46 -45.4 36.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.703 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.71 -48.71 76.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.45 ' OE1' ' CD1' ' A' ' 33' ' ' PHE . 19.8 mt-30 -45.8 -57.7 4.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.792 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -41.7 -43.37 2.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.901 0.381 . . . . 0.0 111.099 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -73.17 -45.53 56.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.014 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.499 HG23 ' HD3' ' A' ' 143' ' ' LYS . 51.4 mt -53.33 -55.68 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.77 168.81 1.35 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.612 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.5 m -132.77 48.77 2.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.072 0.463 . . . . 0.0 110.827 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -84.99 -60.49 2.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.932 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -75.49 -48.66 21.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.982 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.52 155.31 17.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.044 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.522 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 2.2 tmtp? -104.49 84.93 2.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.753 HG12 HG22 ' A' ' 131' ' ' VAL . 24.2 mt -110.32 126.49 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.069 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -96.5 93.9 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.779 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.45 ' CD1' ' OE1' ' A' ' 21' ' ' GLN . 17.7 m-85 -61.35 176.08 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.008 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 35' ' ' GLU . 42.0 t -122.21 154.96 27.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.433 ' N ' HG12 ' A' ' 34' ' ' VAL . 6.0 mm-40 -45.44 165.95 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.719 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.534 ' HD3' HG21 ' A' ' 18' ' ' VAL . 11.0 mtm105 -76.61 -43.42 38.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.806 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -83.51 20.71 1.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.694 ' ND2' ' CD2' ' A' ' 174' ' ' TYR . 2.9 m120 -117.84 -5.59 11.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.93 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -79.17 7.32 7.77 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.93 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.4 ' HB2' ' CB ' ' A' ' 6' ' ' ALA . 3.6 p-80 -43.08 110.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 64.9 mt -50.12 111.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.5 m -68.1 114.75 6.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.763 HD12 HD11 ' A' ' 7' ' ' ILE . 5.4 tt -86.12 -56.28 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.724 ' HB3' HD11 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -136.01 115.65 12.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -85.57 126.08 33.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.768 ' CB ' HD11 ' A' ' 49' ' ' ILE . 26.4 mt -100.55 -66.04 0.93 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.09 -127.88 9.39 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.622 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -65.5 125.1 24.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.955 0.407 . . . . 0.0 110.962 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.944 HD12 ' HB3' ' A' ' 3' ' ' ALA . 18.3 mt -150.83 147.06 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.982 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' GLU . 28.0 p -96.3 131.74 42.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.144 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -42.67 -23.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.805 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 50' ' ' THR . 7.4 pt-20 -79.44 -43.75 22.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.99 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.44 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 8.5 mm-40 -79.08 -20.26 49.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.066 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.403 ' HA ' HD13 ' A' ' 57' ' ' ILE . . . -52.17 -54.81 26.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -44.84 -36.55 3.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' OE1' ' C ' ' A' ' 56' ' ' GLU . 0.9 OUTLIER -59.13 -60.19 4.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.0 -179.836 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.768 ' H ' HD12 ' A' ' 57' ' ' ILE . 3.9 mp -44.29 -58.48 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.097 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 59' ' ' LYS . 48.5 mttt -40.62 -63.45 0.64 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' LYS . 6.6 mmpt? -37.03 -58.1 0.8 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.777 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.467 HG22 HD12 ' A' ' 64' ' ' ILE . 78.7 mt -45.43 -44.74 3.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.27 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.558 HD11 HG21 ' A' ' 5' ' ' ILE . 57.7 mt -65.06 -35.67 81.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.97 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -57.1 -44.62 83.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.688 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -73.99 -60.35 2.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.787 HG21 HG23 ' A' ' 103' ' ' ILE . 96.7 mt -48.76 -54.29 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.94 -13.26 1.03 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 66' ' ' LYS . 0.8 OUTLIER -102.69 -39.48 7.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.48 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 8.9 ptmt -67.56 -20.58 65.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.947 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -101.94 158.45 16.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -102.44 173.61 6.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -97.42 101.27 12.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.983 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.471 ' CB ' HG13 ' A' ' 99' ' ' ILE . 73.7 t60 -97.03 165.35 12.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -108.73 106.41 16.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.788 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.7 m -102.94 170.42 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.118 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.466 ' O ' HG13 ' A' ' 94' ' ' VAL . 2.7 m120 -116.59 161.04 19.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.772 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.0 p -128.25 110.42 21.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.048 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 18.3 ttt180 -159.04 146.71 17.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.955 0.407 . . . . 0.0 111.018 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.421 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 105.72 148.71 17.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.321 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 22.4 mt -142.46 131.92 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.347 . . . . 0.0 111.198 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -117.04 158.81 14.3 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.461 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.474 HG21 ' HA ' ' A' ' 84' ' ' PRO . 32.7 m -128.25 149.27 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.02 0.438 . . . . 0.0 111.052 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.58 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 10.5 m-85 -132.15 147.94 67.81 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.846 0.831 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 53.8 Cg_endo -69.8 -36.32 2.38 Favored 'Cis proline' 0 C--N 1.343 0.275 0 C-N-CA 122.773 -1.761 . . . . 0.0 112.299 -0.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.46 159.56 32.47 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.723 0.773 . . . . 0.0 110.806 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.474 ' HA ' HG21 ' A' ' 80' ' ' VAL . 65.2 Cg_exo -47.88 -53.96 5.87 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.606 2.204 . . . . 0.0 112.436 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -40.74 -42.24 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -133.44 80.57 1.88 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.06 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.8 t -71.46 132.27 33.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 20.4 mmm-85 -124.03 -42.41 2.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 71.9 t -129.88 125.24 60.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.287 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 57.2 mt -90.98 126.55 43.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.092 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.58 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 50.8 p-90 -140.91 140.59 34.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.009 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.69 166.63 12.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.003 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -127.31 152.54 18.78 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.658 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 74' ' ' ASN . 94.9 t -104.52 148.75 8.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.965 0.412 . . . . 0.0 111.201 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.477 ' O ' ' C ' ' A' ' 96' ' ' ASN . 68.8 mm-40 -71.34 -176.66 1.55 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.98 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.477 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.6 OUTLIER -32.02 95.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.969 0.414 . . . . 0.0 111.033 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 95' ' ' GLU . 1.2 p30 -109.26 37.18 2.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -38.04 -64.92 0.37 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.471 HG13 ' CB ' ' A' ' 71' ' ' HIS . 47.3 mm -43.82 -70.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.07 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 90.2 mt -45.12 -35.99 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -32.3 70.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.198 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 99' ' ' ILE . 1.4 mtpm? -69.29 -33.91 73.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.733 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.787 HG23 HG21 ' A' ' 64' ' ' ILE . 65.4 mt -75.89 -38.95 37.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.069 0.461 . . . . 0.0 111.238 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.46 -41.67 73.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 106' ' ' GLU . 14.5 pttp -78.01 -35.32 50.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.981 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.445 ' N ' ' HG3' ' A' ' 105' ' ' LYS . 3.2 tp10 -64.86 -42.09 95.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.61 ' CD1' HG22 ' A' ' 103' ' ' ILE . 55.6 mt -64.46 -39.93 87.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -71.23 -42.06 69.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -42.5 -28.86 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -95.05 -48.21 6.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.064 0.459 . . . . 0.0 110.911 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.528 HD23 HD12 ' A' ' 114' ' ' LEU . 72.2 mt -52.0 -45.31 64.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.198 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 111' ' ' LEU . . . -37.77 -38.18 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.26 -43.15 82.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.046 0.45 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.528 HD12 HD23 ' A' ' 111' ' ' LEU . 29.4 mt -66.65 -10.72 49.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 99.83 54.73 1.03 Allowed Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.279 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -121.96 151.69 40.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.962 0.411 . . . . 0.0 110.767 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 29.5 tttp -72.21 139.93 48.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -113.44 129.08 56.63 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -98.51 122.62 41.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.752 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -46.37 -69.08 0.9 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.565 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -98.98 139.15 35.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.897 0.379 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -97.73 135.52 39.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 73.4 t -134.62 116.84 22.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -84.92 104.78 15.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.536 ' C ' HD12 ' A' ' 126' ' ' ILE . 14.2 p-80 -133.05 169.1 17.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.622 ' N ' HD12 ' A' ' 126' ' ' ILE . 3.0 mp -139.95 114.57 7.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.173 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 79.7 m -68.59 112.18 5.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.058 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 49.5 mt -78.19 -39.22 41.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 178.08 176.45 46.06 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.553 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -118.35 146.37 44.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.996 0.427 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.753 HG22 HG12 ' A' ' 31' ' ' ILE . 90.1 t -95.68 122.92 47.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.265 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.1 -58.22 2.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.94 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.522 ' CE2' ' HG3' ' A' ' 30' ' ' LYS . 9.8 p90 -151.72 136.45 17.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 3.6 p -138.1 151.58 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.323 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -106.7 -47.45 3.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -76.71 105.09 7.57 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -70.8 -63.33 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.969 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 39.4 mt -44.69 -45.55 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.954 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -44.21 -41.6 6.45 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 69.8 mt -55.21 -62.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.92 0.391 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.41 -56.36 22.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.024 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.1 mmt -44.71 -36.25 3.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.765 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.499 ' HD3' HG23 ' A' ' 24' ' ' ILE . 13.6 ttmm -72.72 -58.62 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 63.3 mt -38.73 -54.6 1.57 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.769 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -49.11 -45.52 43.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.924 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -62.27 -39.34 92.58 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.6 mp -105.12 36.66 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.812 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -98.04 -35.44 10.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 150' ' ' GLU . 3.1 m120 -110.61 -26.44 9.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.799 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 149' ' ' ASN . 6.0 tm-20 -37.5 112.86 0.23 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.042 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -71.98 163.96 26.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -124.04 -36.06 2.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.774 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 136.18 -160.02 24.54 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.63 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 80.1 p -143.26 174.87 10.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 110.897 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -173.46 164.37 4.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.819 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 51.1 mt -114.35 127.51 71.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.225 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.937 HG22 HG21 ' A' ' 7' ' ' ILE . 86.6 t -74.19 96.48 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.56 ' HB3' HD12 ' A' ' 182' ' ' LEU . 6.4 mt-10 -93.18 -69.83 0.73 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -100.13 160.16 14.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 57.8 mt -115.29 141.88 30.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.418 ' OE1' ' N ' ' A' ' 162' ' ' LEU . 0.0 OUTLIER -120.81 138.44 54.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.418 ' N ' ' OE1' ' A' ' 161' ' ' GLU . 14.3 tp -120.06 115.6 24.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.976 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -114.77 159.76 20.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.848 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 177' ' ' LEU . 17.7 pttt -128.67 148.57 50.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.013 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 7.5 m -116.4 126.93 54.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.754 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 99.6 m -131.71 97.29 4.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.291 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 11.7 mt -66.29 133.29 50.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.996 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 33.5 p -136.2 155.88 77.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 121.665 0.745 . . . . 0.0 111.381 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -48.08 -32.84 19.47 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.562 2.175 . . . . 0.0 112.334 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -80.36 -28.74 37.96 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 153.78 173.88 23.38 Favored Glycine 0 C--N 1.329 0.148 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.53 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.45 126.68 13.81 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.593 2.195 . . . . 0.0 112.296 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 14.6 mm -98.31 132.23 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.306 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' TYR . . . . . 0.694 ' CD2' ' ND2' ' A' ' 38' ' ' ASN . 3.7 m-85 -127.2 130.26 49.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.762 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -160.78 162.88 32.52 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.537 HG21 ' HG3' ' A' ' 179' ' ' ARG . 15.8 m -90.47 153.09 20.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.258 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 164' ' ' LYS . 35.6 mt -120.49 -43.9 2.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -135.69 135.2 39.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.002 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' ARG . . . . . 0.537 ' HG3' HG21 ' A' ' 176' ' ' THR . 49.4 mtp180 -133.51 109.44 9.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.939 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -112.1 98.82 7.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.973 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -100.16 124.04 45.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.56 HD12 ' HB3' ' A' ' 158' ' ' GLU . 47.7 mt -49.63 -53.43 24.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 58.1 p -92.64 140.71 29.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.704 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -90.37 158.0 17.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -83.41 47.39 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.818 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -107.3 85.78 2.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.788 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -139.95 129.45 24.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -71.15 99.34 1.85 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -163.67 164.34 23.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 4.2 t60 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.873 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 47' ' ' GLY . 4.1 ptt? . . . . . 0 C--O 1.235 0.319 0 CA-C-O 120.689 0.28 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -84.42 81.94 8.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.979 0.419 . . . . 0.0 110.879 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.985 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -78.86 140.82 38.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.214 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.453 ' O ' HD12 ' A' ' 162' ' ' LEU . 21.8 p90 -163.69 128.44 2.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.958 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.598 HD11 ' HB3' ' A' ' 44' ' ' LYS . 38.1 pt -85.3 131.6 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.107 0.48 . . . . 0.0 111.062 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.551 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -127.7 165.98 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.797 HG21 HG22 ' A' ' 157' ' ' VAL . 76.2 mt -106.32 127.46 61.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.993 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -56.57 127.23 30.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.784 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 10' ' ' SER . 2.6 m -105.38 90.14 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.113 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 9' ' ' VAL . 17.7 m -37.78 154.72 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.693 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -45.36 -39.11 6.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.656 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 t -41.9 -37.12 1.22 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 16' ' ' ALA . 42.5 t -88.91 -59.83 2.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.454 ' O ' HG23 ' A' ' 18' ' ' VAL . 58.3 mtt180 -36.65 -57.82 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -56.86 -34.74 68.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.025 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 13' ' ' VAL . . . -60.64 -58.82 6.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.002 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.4 mt -55.51 -49.43 72.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.006 0.431 . . . . 0.0 111.051 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 14' ' ' ARG . 99.2 t -55.15 -38.94 48.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.972 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -52.42 -43.38 64.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.18 -48.0 59.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -46.4 -59.26 3.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -42.27 -43.49 3.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.988 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -69.88 -35.96 75.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.809 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.87 -58.34 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.16 145.43 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.446 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.7 p -112.31 48.09 1.02 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.839 0.352 . . . . 0.0 110.944 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -87.99 -58.29 2.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.942 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.88 -50.89 11.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.814 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.92 155.02 17.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.438 ' HD2' ' C ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -105.01 110.27 22.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.546 HG12 HG22 ' A' ' 131' ' ' VAL . 7.7 mt -132.99 129.45 57.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.17 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -93.08 85.96 5.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.866 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -56.01 166.4 0.78 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.515 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 27.5 t -111.76 146.08 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.226 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -40.16 160.41 0.01 OUTLIER 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.082 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.476 ' HD2' ' N ' ' A' ' 36' ' ' ARG . 6.3 mpt_? -69.42 -45.64 68.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.05 17.9 1.48 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.733 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.469 ' HB2' HG12 ' A' ' 34' ' ' VAL . 4.5 m120 -121.05 16.33 11.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.515 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 20.0 m-85 -96.33 8.24 44.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.942 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.551 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 3.9 p-80 -50.32 128.19 19.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.6 mt -65.9 115.41 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.283 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.8 m -66.78 100.09 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.224 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.511 ' O ' HD23 ' A' ' 43' ' ' LEU . 4.0 tt -68.69 -53.63 21.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.951 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.598 ' HB3' HD11 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -137.49 122.13 18.58 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -94.76 120.94 35.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.695 ' CB ' HD11 ' A' ' 49' ' ' ILE . 8.5 mt -103.19 -60.97 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 102.32 -124.82 8.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.332 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -69.2 130.48 42.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.839 0.352 . . . . 0.0 110.896 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.985 HD12 ' HB3' ' A' ' 3' ' ' ALA . 10.9 mt -155.62 143.01 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.098 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.6 p -93.34 146.54 23.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -52.13 -30.08 24.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -69.41 -34.24 74.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -88.03 -27.09 22.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.52 -59.83 3.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.064 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -46.27 -25.52 0.64 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.21 -55.7 6.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.957 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.623 HG13 HD21 ' A' ' 111' ' ' LEU . 2.9 mp -47.72 -60.13 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.446 ' HE3' ' HB2' ' A' ' 178' ' ' ALA . 23.0 mttp -39.02 -64.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.9 mtmm -38.65 -58.82 1.0 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.797 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 57' ' ' ILE . 71.9 mt -41.41 -50.66 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.007 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.439 HD21 HD13 ' A' ' 5' ' ' ILE . 15.2 mt -59.87 -50.33 74.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.028 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -40.43 -36.98 0.62 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.72 -53.16 5.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.062 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.404 ' HA ' ' CD ' ' A' ' 67' ' ' LYS . 60.0 mt -50.07 -55.51 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.389 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.45 -7.56 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.05 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -101.7 -37.51 8.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.988 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.404 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 4.1 pttp -82.79 -6.38 59.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.017 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.637 ' CD2' ' CG1' ' A' ' 103' ' ' ILE . 26.3 m-85 -110.48 160.89 16.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.811 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.92 170.43 7.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.795 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -113.52 111.33 21.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.06 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.667 ' O ' HG23 ' A' ' 156' ' ' ILE . 20.8 t60 -99.96 176.71 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.015 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -108.24 98.07 7.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.106 0.479 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 96' ' ' ASN . 16.3 m -96.52 177.94 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.018 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.428 ' CG ' ' HB3' ' A' ' 154' ' ' SER . 3.4 m120 -125.53 167.0 15.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.7 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.475 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.2 p -127.55 96.84 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.012 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -147.54 158.73 44.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.8 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.16 137.96 8.93 Favored Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.442 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.7 mt -139.35 137.77 40.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.06 0.457 . . . . 0.0 111.149 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.52 ' HA3' ' CZ2' ' A' ' 91' ' ' TRP . . . -123.13 162.75 16.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.392 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.514 HG11 HD21 ' A' ' 144' ' ' LEU . 35.3 m -132.02 155.79 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 111.143 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.528 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 11.9 m-85 -141.18 155.59 68.14 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.618 0.723 . . . . 0.0 110.947 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 52.8 Cg_endo -69.88 -22.19 9.88 Favored 'Cis proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.542 -1.857 . . . . 0.0 112.507 0.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.4 ' CG ' ' C ' ' A' ' 82' ' ' PRO . 0.6 OUTLIER -160.36 159.21 26.3 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.432 0.634 . . . . 0.0 111.114 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.473 ' HA ' HG21 ' A' ' 80' ' ' VAL . 68.2 Cg_exo -47.95 -62.96 0.36 Allowed 'Trans proline' 0 C--O 1.23 0.081 0 C-N-CA 122.78 2.32 . . . . 0.0 112.328 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -45.03 -33.66 2.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -128.17 92.03 3.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.731 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.3 t -86.02 130.85 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.172 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -128.4 -43.49 1.44 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.3 t -129.61 117.36 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.072 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 86.0 mt -88.09 128.41 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.055 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.52 ' CZ2' ' HA3' ' A' ' 79' ' ' GLY . 61.3 p-90 -140.6 147.99 40.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.021 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -97.88 166.89 11.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -125.81 154.91 18.88 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.506 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 74' ' ' ASN . 71.8 t -107.93 147.38 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 111.17 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.491 ' O ' ' C ' ' A' ' 96' ' ' ASN . 9.8 mt-10 -70.85 -176.35 1.32 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.491 ' C ' ' O ' ' A' ' 95' ' ' GLU . 10.5 p-10 -29.14 94.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.008 0.432 . . . . 0.0 110.884 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 95' ' ' GLU . 1.0 OUTLIER -104.02 48.86 0.83 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.823 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -51.98 -57.32 9.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.63 HG22 HD12 ' A' ' 103' ' ' ILE . 29.7 mm -55.41 -63.05 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.169 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.2 mt -48.85 -19.51 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -85.09 -67.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.409 ' HZ2' ' HB2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -48.39 -20.25 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.926 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.637 ' CG1' ' CD2' ' A' ' 68' ' ' TYR . 60.8 mt -89.51 -42.88 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.39 -31.86 68.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.945 0.403 . . . . 0.0 111.053 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -74.32 -48.08 30.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -62.12 -41.58 98.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.598 ' CD1' HG22 ' A' ' 103' ' ' ILE . 62.1 mt -55.67 -40.01 58.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -80.26 -40.56 26.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -50.61 -27.99 7.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -89.35 -37.29 14.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 1.067 HD23 HD12 ' A' ' 114' ' ' LEU . 57.7 mt -68.73 -28.89 67.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.22 -31.74 6.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.062 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -76.69 -34.63 58.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.936 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 1.067 HD12 HD23 ' A' ' 111' ' ' LEU . 58.2 mt -69.41 -27.35 65.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.977 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 126.49 49.62 0.18 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.481 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -131.97 -176.74 4.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -130.36 144.59 51.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.742 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -113.11 128.35 56.46 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.787 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -99.83 99.55 10.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.976 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -38.67 -46.54 2.18 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.397 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -80.44 92.1 5.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -95.83 137.03 35.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 87.9 t -137.34 112.67 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.224 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.93 105.25 7.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.105 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -136.75 164.29 28.62 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.594 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.5 mp -134.93 105.14 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 69.6 m -59.94 115.13 3.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 40.7 mt -79.15 -33.39 44.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 170.71 179.31 41.94 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.351 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -121.17 144.96 48.3 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.952 0.406 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.546 HG22 HG12 ' A' ' 31' ' ' ILE . 69.8 t -92.31 130.69 41.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.245 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -99.44 -54.35 2.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.797 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.482 ' O ' ' CD1' ' A' ' 133' ' ' PHE . 6.9 p90 -153.57 133.37 13.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.79 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.58 HG21 HD21 ' A' ' 140' ' ' LEU . 2.3 p -133.0 157.56 43.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.047 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.48 ' N ' HG22 ' A' ' 134' ' ' VAL . 9.0 mtpm? -118.92 -41.47 2.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.993 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -78.45 97.27 5.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.69 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -63.17 -66.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 32.4 mt -43.82 -51.45 7.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.019 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -41.3 -48.28 4.56 Favored Glycine 0 CA--C 1.517 0.164 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.275 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.58 HD21 HG21 ' A' ' 134' ' ' VAL . 84.8 mt -43.92 -60.78 1.68 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.712 0.291 . . . . 0.0 110.854 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -68.38 -57.74 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.187 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 10.7 mmt -40.37 -39.04 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.765 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 146' ' ' GLU . 15.6 ttmt -69.51 -57.36 5.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.514 HD21 HG11 ' A' ' 80' ' ' VAL . 61.1 mt -40.05 -49.57 2.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -51.17 -38.53 52.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.016 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 143' ' ' LYS . 10.2 mm-40 -71.77 -33.86 68.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.003 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 3.3 mp -107.22 37.49 2.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.027 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -106.93 -33.71 7.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.243 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -113.26 -16.52 12.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.708 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -50.54 111.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.841 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.63 153.07 42.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.792 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.475 ' HB2' HG13 ' A' ' 75' ' ' VAL . 66.0 m-85 -113.82 -35.46 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 139.93 -164.16 26.15 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.593 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.428 ' HB3' ' CG ' ' A' ' 74' ' ' ASN . 54.1 p -143.58 172.25 13.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.599 0.238 . . . . 0.0 111.009 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -173.43 172.83 3.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.97 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.667 HG23 ' O ' ' A' ' 71' ' ' HIS . 34.1 mt -116.62 131.43 69.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.1 0.476 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.797 HG22 HG21 ' A' ' 7' ' ' ILE . 54.8 t -87.6 92.66 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.192 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.494 ' O ' HD12 ' A' ' 182' ' ' LEU . 13.7 mt-10 -96.86 -70.51 0.71 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.935 0.398 . . . . 0.0 111.046 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.929 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -88.54 178.36 6.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.995 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 161' ' ' GLU . 92.5 mt -132.08 156.72 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.494 ' N ' HG22 ' A' ' 160' ' ' ILE . 47.6 tt0 -137.31 117.47 13.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.779 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.465 HD13 ' CG2' ' A' ' 5' ' ' ILE . 28.3 tp -100.24 128.08 46.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -121.17 160.1 24.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.008 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.516 ' HB2' HD11 ' A' ' 177' ' ' LEU . 18.8 ttpt -125.26 129.46 50.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.955 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.425 ' OG ' ' CZ ' ' A' ' 174' ' ' TYR . 1.6 m -105.46 128.9 53.8 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 85.2 m -134.13 99.93 4.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.261 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 172' ' ' PRO . 25.1 mt -70.26 133.19 46.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 36.4 p -137.87 157.06 73.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.486 0.66 . . . . 0.0 111.235 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -48.1 -31.77 17.13 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.549 2.166 . . . . 0.0 112.368 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -80.47 -24.58 39.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 148.59 173.39 19.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.588 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' PRO . . . . . 0.439 ' HA ' HD23 ' A' ' 167' ' ' LEU . 52.8 Cg_endo -69.85 126.49 13.31 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.611 2.207 . . . . 0.0 112.231 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 14.0 mm -99.62 139.52 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.181 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' TYR . . . . . 0.425 ' CZ ' ' OG ' ' A' ' 165' ' ' SER . 5.1 m-85 -133.92 121.22 21.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -146.54 140.61 26.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.686 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 11.9 m -71.98 153.96 41.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.239 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.516 HD11 ' HB2' ' A' ' 164' ' ' LYS . 39.7 mt -117.05 -44.72 2.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.46 ' HB1' ' CZ ' ' A' ' 180' ' ' PHE . . . -142.15 134.67 28.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.164 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 179' ' ' ARG . . . . . 0.438 ' NH1' ' HB3' ' A' ' 179' ' ' ARG . 11.8 mtp-105 -122.19 108.2 13.03 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.789 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.929 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 30.3 m-85 -111.29 99.46 8.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -97.25 136.77 37.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.955 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 158' ' ' GLU . 11.4 mt -119.57 -33.88 3.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 183' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 182' ' ' LEU . 4.0 m -36.31 139.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.969 0.414 . . . . 0.0 110.937 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -134.09 -48.22 0.79 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.833 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -39.46 112.98 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 186' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 187' ' ' HIS . 13.1 t-160 -96.53 117.39 30.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 186' ' ' HIS . 13.8 p80 -36.29 109.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -86.14 176.13 8.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -100.01 -43.88 6.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.858 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 39.1 t60 . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 120.896 0.379 . . . . 0.0 110.719 -179.906 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 120.655 0.264 . . . . 0.0 110.755 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -95.5 95.88 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.947 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.854 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -94.29 151.27 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.177 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -157.1 141.56 16.59 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.588 HD11 ' HB3' ' A' ' 44' ' ' LYS . 14.5 pt -94.63 116.18 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.328 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.47 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -112.2 162.69 15.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.22 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.841 HG21 HG22 ' A' ' 157' ' ' VAL . 67.3 mt -106.04 125.3 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.162 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.82 126.24 19.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.862 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 10' ' ' SER . 3.5 m -105.94 86.06 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 9' ' ' VAL . 23.0 t -36.05 151.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.886 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -41.21 -43.6 2.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.949 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.8 p -39.65 -46.82 1.89 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.818 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.5 t -77.79 -54.59 12.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.174 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.737 ' O ' HG23 ' A' ' 18' ' ' VAL . 52.1 mtt180 -41.79 -53.68 3.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -38.41 76.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.973 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.23 -67.41 0.38 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.319 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.6 mt -49.63 -42.38 44.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.737 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 14' ' ' ARG . 93.3 t -60.73 -37.02 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.4 ttm-85 -55.16 -40.51 70.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.21 -47.7 70.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.244 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.464 ' HA ' HD12 ' A' ' 24' ' ' ILE . 21.9 mt-30 -50.78 -58.19 6.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.023 0.44 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -43.4 -32.15 0.8 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.772 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -84.43 -39.2 19.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.864 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 21' ' ' GLN . 95.4 mt -53.25 -50.85 44.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.08 157.36 0.09 OUTLIER Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.397 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.6 p -126.32 41.41 3.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.021 0.439 . . . . 0.0 110.702 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -78.95 -61.48 2.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.062 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -77.59 -44.65 27.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.31 162.77 12.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.406 ' HG2' ' CE2' ' A' ' 133' ' ' PHE . 0.1 OUTLIER -119.85 92.2 3.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.811 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.568 HG12 HG22 ' A' ' 131' ' ' VAL . 40.9 mt -114.2 128.78 71.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.421 ' HE3' ' C ' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -90.85 84.52 5.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.75 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -56.27 179.1 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.955 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.586 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 61.6 t -120.07 149.71 22.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.181 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -44.65 163.63 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -71.46 -43.94 65.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -83.61 23.93 0.91 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.792 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.406 ' HB2' HG12 ' A' ' 34' ' ' VAL . 2.4 m-80 -128.04 13.1 6.73 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.586 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 38.1 m-85 -96.07 5.18 51.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.811 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.47 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 4.9 p80 -51.62 126.62 18.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.758 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 63.9 mt -57.31 123.08 7.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.313 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.1 m -76.56 88.84 3.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.983 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.416 ' C ' HD23 ' A' ' 43' ' ' LEU . 4.4 tt -45.86 -57.89 3.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.588 ' HB3' HD11 ' A' ' 5' ' ' ILE . 43.8 tttp -151.61 147.69 27.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.006 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -99.24 133.11 43.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.506 ' CB ' HD11 ' A' ' 49' ' ' ILE . 12.5 mt -103.9 -56.95 2.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.046 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.0 -135.32 12.12 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.414 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -67.77 130.11 41.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.876 0.37 . . . . 0.0 110.798 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.854 HD12 ' HB3' ' A' ' 3' ' ' ALA . 24.1 mt -145.27 146.71 19.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.234 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.2 p -92.85 138.34 31.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.092 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -39.91 -36.78 0.49 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -70.93 -51.71 24.34 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.059 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -58.77 -36.56 74.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -37.45 -57.11 0.95 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.054 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.521 ' CG ' ' N ' ' A' ' 56' ' ' GLU . 4.6 pt-20 -50.14 -49.49 51.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.779 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.521 ' N ' ' CG ' ' A' ' 55' ' ' GLU . 11.0 tp10 -42.37 -63.94 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.862 HG13 HD21 ' A' ' 111' ' ' LEU . 3.8 mp -43.77 -58.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.047 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -42.42 -65.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.007 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -41.06 -61.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.3 mt -38.6 -49.05 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 48.2 mt -59.95 -53.19 60.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.944 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -39.72 -37.46 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -80.99 -56.42 4.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.062 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 67' ' ' LYS . 69.7 mt -54.89 -64.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -46.14 -20.61 0.11 Allowed 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -94.9 -29.21 14.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.703 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -74.98 -16.2 60.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.881 -179.847 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.406 ' CD2' HG12 ' A' ' 103' ' ' ILE . 53.8 m-85 -105.91 160.76 15.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.758 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -102.85 -174.99 2.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.818 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.9 110.5 20.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.932 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.537 ' CG ' HG13 ' A' ' 99' ' ' ILE . 2.8 t-160 -99.07 141.89 31.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.831 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -107.29 102.44 11.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.987 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.0 m -107.49 177.12 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.197 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 75' ' ' VAL . 32.3 t-20 -120.1 154.55 34.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.026 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 153' ' ' GLY . 1.9 p -119.82 108.78 24.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.092 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.3 ttp85 -160.31 158.47 29.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.064 0.459 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.35 148.12 19.55 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.544 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.459 HG23 ' O ' ' A' ' 91' ' ' TRP . 37.0 mt -141.79 145.21 24.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.868 0.366 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.55 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -123.03 171.91 15.8 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.42 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.409 HG21 ' HA ' ' A' ' 84' ' ' PRO . 26.8 m -139.8 164.39 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.783 0.325 . . . . 0.0 111.223 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.653 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 10.4 m-85 -149.81 154.31 37.26 Favored Pre-proline 0 C--O 1.234 0.28 0 CA-C-O 121.691 0.757 . . . . 0.0 110.696 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.1 Cg_endo -69.96 -20.16 11.11 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.552 -1.853 . . . . 0.0 112.389 0.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -163.38 160.33 18.09 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.461 0.648 . . . . 0.0 110.915 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.409 ' HA ' HG21 ' A' ' 80' ' ' VAL . 62.7 Cg_exo -48.15 -58.0 2.01 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.601 2.201 . . . . 0.0 112.404 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -43.78 -35.47 1.9 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.067 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -134.5 101.53 5.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.001 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 87.8 t -91.94 131.55 38.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.206 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -128.72 -33.28 2.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.978 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.6 t -136.04 119.3 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 70.0 mt -87.77 128.32 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.653 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 23.5 p-90 -145.24 144.9 31.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.938 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.82 167.15 11.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.88 152.41 17.21 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.621 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.3 t -103.61 144.62 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.701 0.286 . . . . 0.0 111.179 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.538 ' O ' ' C ' ' A' ' 96' ' ' ASN . 7.8 mm-40 -73.21 -175.97 2.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.784 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.538 ' C ' ' O ' ' A' ' 95' ' ' GLU . 12.6 p-10 -25.79 105.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.996 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.33 52.83 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -57.51 -54.99 40.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.784 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.537 HG13 ' CG ' ' A' ' 71' ' ' HIS . 29.0 mm -64.48 -64.41 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.992 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 94.0 mt -38.07 -33.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.185 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -69.82 -54.84 11.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.103 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -46.16 -50.86 15.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.41 HG22 ' CD1' ' A' ' 107' ' ' ILE . 67.8 mt -60.74 -45.27 98.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.073 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.96 -35.79 75.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -75.86 -41.75 51.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -64.19 -45.59 87.68 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.766 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.41 ' CD1' HG22 ' A' ' 103' ' ' ILE . 62.4 mt -56.87 -33.38 41.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.217 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.435 ' OD1' ' C ' ' A' ' 108' ' ' ASP . 15.5 t0 -80.96 -57.22 3.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 108' ' ' ASP . 0.8 OUTLIER -36.36 -44.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.026 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -69.28 -55.54 10.21 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.862 HD21 HG13 ' A' ' 57' ' ' ILE . 27.4 mt -48.28 -37.27 15.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.073 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -46.79 -33.54 4.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -30.14 57.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.928 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.705 HD12 HD23 ' A' ' 111' ' ' LEU . 70.5 mt -75.26 -27.35 59.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 126.52 44.3 0.25 Allowed Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.413 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.566 ' CE1' HD22 ' A' ' 111' ' ' LEU . 60.5 m-85 -120.69 168.24 11.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.916 0.388 . . . . 0.0 110.875 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -80.68 156.1 26.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.487 ' HD3' ' N ' ' A' ' 119' ' ' GLU . 0.6 OUTLIER -100.6 125.36 46.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.647 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.487 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 39.6 mt-10 -99.39 93.97 6.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.736 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -50.99 -62.45 5.33 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.367 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -99.74 135.15 41.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.99 0.424 . . . . 0.0 110.817 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -92.01 153.09 19.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 84.5 t -139.31 129.85 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -115.6 95.65 5.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.077 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -138.54 167.61 21.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.732 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.581 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.3 mp -135.11 103.75 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.001 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 50.7 m -60.54 110.41 1.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.026 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 34' ' ' VAL . 47.0 mt -77.17 -42.12 38.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.061 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 179.49 -174.73 46.45 Favored Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.408 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -125.05 152.13 44.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.341 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.568 HG22 HG12 ' A' ' 31' ' ' ILE . 60.0 t -97.91 121.92 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.171 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -91.88 -59.11 2.2 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.406 ' CE2' ' HG2' ' A' ' 30' ' ' LYS . 24.8 p90 -150.38 135.43 17.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.015 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.418 HG21 HD21 ' A' ' 140' ' ' LEU . 2.3 p -138.6 150.78 23.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.366 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -110.03 -48.65 3.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -83.0 99.01 9.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 138' ' ' LEU . 36.5 mmtt -66.59 -61.23 2.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.801 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 137' ' ' LYS . 28.7 mt -35.5 -50.69 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.055 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -45.5 -49.92 10.97 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.813 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.418 HD21 HG21 ' A' ' 134' ' ' VAL . 23.5 mt -44.0 -58.59 2.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.702 0.287 . . . . 0.0 110.805 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 143' ' ' LYS . . . -67.05 -60.87 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.374 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 141' ' ' ALA . 5.6 mmt -38.21 -30.67 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 141' ' ' ALA . 1.3 ttmp? -79.29 -55.77 4.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.791 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 148' ' ' ALA . 73.8 mt -41.03 -51.64 3.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.058 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -51.88 -40.45 60.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.962 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -67.82 -46.82 70.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.776 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 6.7 mp -84.95 2.04 44.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 144' ' ' LEU . . . -70.92 -30.16 66.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 150' ' ' GLU . 73.1 m-20 -113.12 -27.08 8.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 149' ' ' ASN . 10.9 tp10 -37.18 107.04 0.05 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.21 158.46 35.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.753 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -121.45 -38.84 2.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLY . . . . . 0.561 ' O ' HG12 ' A' ' 75' ' ' VAL . . . 134.32 -169.69 22.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.486 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 25.4 p -134.18 164.86 26.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.977 0.418 . . . . 0.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -164.98 167.54 18.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.7 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 18.2 mt -112.51 123.31 68.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.841 HG22 HG21 ' A' ' 7' ' ' ILE . 64.2 t -83.41 97.44 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.066 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.637 ' HB3' HD12 ' A' ' 182' ' ' LEU . 10.5 mp0 -99.08 -68.81 0.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.133 0.492 . . . . 0.0 110.796 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.404 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -83.13 173.34 11.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.126 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' ILE . . . . . 0.411 HG22 ' N ' ' A' ' 161' ' ' GLU . 70.4 mt -129.7 152.49 37.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.411 ' N ' HG22 ' A' ' 160' ' ' ILE . 8.8 tt0 -126.93 134.83 50.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.451 HD23 ' HB3' ' A' ' 178' ' ' ALA . 18.5 tp -123.38 118.12 26.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.931 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -121.45 163.76 18.25 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.747 ' HE2' HD21 ' A' ' 177' ' ' LEU . 8.3 ptpt -109.91 174.31 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.776 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 30.0 t -147.8 117.64 7.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.779 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 89.6 m -129.9 98.35 4.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.148 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 13.3 mt -70.18 134.85 48.51 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.19 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 30.4 p -139.48 154.63 71.72 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.487 0.66 . . . . 0.0 111.245 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -47.78 -33.19 18.61 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.845 2.364 . . . . 0.0 112.361 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -80.07 -27.28 39.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.727 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 152.34 169.84 18.17 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' PRO . . . . . 0.452 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 54.5 Cg_endo -69.75 131.88 22.16 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.515 2.143 . . . . 0.0 112.506 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 28.0 mm -103.87 134.89 43.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -125.09 135.73 52.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.784 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -158.43 138.85 12.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.67 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.515 HG21 ' CG ' ' A' ' 179' ' ' ARG . 7.2 m -71.76 147.05 47.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.096 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.747 HD21 ' HE2' ' A' ' 164' ' ' LYS . 28.1 mt -117.68 -39.47 3.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.044 0.449 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.451 ' HB3' HD23 ' A' ' 162' ' ' LEU . . . -146.54 137.48 24.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.108 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 179' ' ' ARG . . . . . 0.515 ' CG ' HG21 ' A' ' 176' ' ' THR . 32.2 mtm180 -136.08 108.87 7.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.049 0.452 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.404 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 35.6 m-85 -109.59 99.84 8.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -99.46 135.24 41.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.764 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.637 HD12 ' HB3' ' A' ' 158' ' ' GLU . 83.7 mt -81.79 -64.5 1.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.963 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 183' ' ' SER . . . . . 0.578 ' HB2' ' CE1' ' A' ' 185' ' ' HIS . 47.8 m -136.64 -178.46 5.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.966 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -118.93 45.0 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.783 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 185' ' ' HIS . . . . . 0.578 ' CE1' ' HB2' ' A' ' 183' ' ' SER . 18.6 p-80 -105.15 42.99 1.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 -129.57 -38.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.038 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -65.09 119.45 10.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.707 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.8 150.38 42.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -94.69 124.27 38.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.756 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.011 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptt? . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.634 0.254 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -82.96 74.25 9.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.961 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -78.5 147.56 33.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.234 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -161.13 138.56 9.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.933 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.772 HD11 ' HB3' ' A' ' 44' ' ' LYS . 21.4 pt -90.28 132.47 34.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.189 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.56 165.13 25.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.998 0.427 . . . . 0.0 110.96 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.828 HG21 HG22 ' A' ' 157' ' ' VAL . 84.5 mt -111.02 118.29 57.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.064 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -45.24 139.5 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.986 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.79 90.58 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.941 0.4 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -38.06 157.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.03 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 13' ' ' VAL . 44.1 mt-10 -47.9 -48.68 31.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.861 0.362 . . . . 0.0 110.804 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 11' ' ' GLU . 24.6 p -34.56 -34.84 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.906 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 11' ' ' GLU . 93.4 t -89.83 -58.43 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.462 ' O ' HG23 ' A' ' 18' ' ' VAL . 78.3 mtt180 -38.82 -58.73 1.04 Allowed 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -49.48 -46.05 47.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.735 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.06 -66.16 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.1 mt -49.03 -50.98 33.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.118 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 14' ' ' ARG . 95.5 t -59.94 -38.69 77.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.159 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' HB3' ' NH1' ' A' ' 19' ' ' ARG . 4.6 mtp-105 -57.84 -32.42 67.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.831 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.33 -47.88 25.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.105 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.552 ' OE1' ' CD1' ' A' ' 33' ' ' PHE . 19.1 mt-30 -50.13 -56.0 12.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -42.38 -37.99 1.73 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.669 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -75.79 -31.73 59.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.05 0.452 . . . . 0.0 111.06 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.467 HD11 ' CD2' ' A' ' 147' ' ' LEU . 83.6 mt -72.02 -52.19 26.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.029 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.48 169.07 0.13 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.594 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.2 p -125.07 50.91 1.71 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.875 0.369 . . . . 0.0 110.765 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.58 -62.46 1.64 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.751 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -79.31 -48.45 14.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.711 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.17 151.33 21.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.515 ' HG2' ' CZ ' ' A' ' 133' ' ' PHE . 9.5 tptm -105.96 87.54 2.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.803 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.79 HG12 HG22 ' A' ' 131' ' ' VAL . 21.7 mt -104.97 124.89 59.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.212 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -83.34 81.74 8.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.008 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.552 ' CD1' ' OE1' ' A' ' 21' ' ' GLN . 13.2 m-85 -58.48 172.3 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.599 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 62.1 t -109.39 147.63 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.278 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -50.74 176.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.084 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.56 ' HA ' ' CD2' ' A' ' 39' ' ' PHE . 40.6 mtt180 -84.34 -43.01 15.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.8 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -81.59 17.44 1.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.751 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -131.84 13.09 4.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.767 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.599 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 11.3 m-85 -85.65 5.69 30.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.845 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -52.98 149.94 6.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.796 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.1 mt -87.45 120.7 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.192 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.0 m -68.36 110.66 4.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.222 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.583 ' O ' HD23 ' A' ' 43' ' ' LEU . 4.4 tt -71.76 -46.28 58.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.772 ' HB3' HD11 ' A' ' 5' ' ' ILE . 6.2 tmtm? -162.4 114.45 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.079 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -70.76 132.67 45.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.82 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.634 HD23 ' HE3' ' A' ' 44' ' ' LYS . 16.1 mt -102.03 -61.2 1.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.03 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.43 -130.89 10.4 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.493 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -72.75 133.66 44.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.361 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.961 HD12 ' HB3' ' A' ' 3' ' ' ALA . 7.5 mt -152.37 144.59 15.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.9 p -95.08 147.13 23.75 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -50.81 -19.36 0.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.0 -33.37 39.37 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' GLU . 30.7 mm-40 -87.21 -34.19 19.07 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.02 -43.46 0.73 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -68.23 -40.67 81.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' GLN . 34.9 mm-40 -50.91 -38.38 49.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.808 HG13 HD21 ' A' ' 111' ' ' LEU . 2.6 mp -69.2 -53.76 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.065 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.602 ' HE3' ' HB2' ' A' ' 178' ' ' ALA . 41.1 mttp -47.61 -42.11 23.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -67.33 -64.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.697 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.6 mt -40.36 -45.55 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.113 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.8 mt -59.87 -45.89 91.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -48.47 -43.66 34.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.869 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -71.44 -44.94 63.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.017 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 66' ' ' LYS . 84.2 mt -66.22 -71.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -42.5 -23.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.013 0.435 . . . . 0.0 111.153 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 64' ' ' ILE . 18.1 ttpp -80.28 -50.73 9.81 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.765 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.588 ' HG3' ' CD1' ' A' ' 68' ' ' TYR . 5.5 ptpp? -60.69 -15.72 31.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.852 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.588 ' CD1' ' HG3' ' A' ' 67' ' ' LYS . 67.3 m-85 -104.91 173.11 6.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.172 0.51 . . . . 0.0 110.714 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -127.17 178.75 5.82 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 7.9 ptpt -90.18 113.43 25.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -96.3 152.98 18.08 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -99.44 100.33 11.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 31.1 m -108.9 172.8 2.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.132 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.46 ' CG ' ' N ' ' A' ' 75' ' ' VAL . 6.7 t-20 -122.84 167.19 13.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.001 0.429 . . . . 0.0 110.932 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.46 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 2.3 p -129.81 115.0 32.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.231 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -166.16 146.69 6.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.977 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.02 133.29 7.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.677 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.478 HG23 ' O ' ' A' ' 91' ' ' TRP . 33.6 mt -126.64 141.4 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.907 0.384 . . . . 0.0 111.164 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -118.68 153.14 17.11 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.611 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.428 HG21 ' HA ' ' A' ' 84' ' ' PRO . 33.2 m -128.25 154.83 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.958 0.408 . . . . 0.0 111.227 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.535 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 12.5 m-85 -141.18 154.3 67.58 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.51 0.671 . . . . 0.0 111.075 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.3 Cg_endo -69.82 -23.62 9.02 Favored 'Cis proline' 0 C--N 1.34 0.121 0 C-N-CA 122.611 -1.829 . . . . 0.0 112.402 0.131 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.55 160.82 25.74 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.537 0.684 . . . . 0.0 110.947 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.428 ' HA ' HG21 ' A' ' 80' ' ' VAL . 59.0 Cg_exo -47.68 -63.59 0.31 Allowed 'Trans proline' 0 N--CA 1.464 -0.21 0 C-N-CA 122.664 2.243 . . . . 0.0 112.445 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -41.06 -35.97 0.63 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -130.24 90.14 2.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 1.029 HG21 HD11 ' A' ' 144' ' ' LEU . 76.7 t -85.83 131.2 35.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.153 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -127.07 -39.42 1.93 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.024 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.48 HG22 ' HB3' ' A' ' 130' ' ' ARG . 53.1 t -130.13 115.91 34.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 82.4 mt -90.09 125.35 42.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.157 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.504 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 37.3 p-90 -138.94 145.96 40.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.973 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.58 163.07 13.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.14 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.49 143.17 14.55 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.623 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 95.2 t -100.72 149.87 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.86 0.362 . . . . 0.0 111.179 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.544 ' O ' ' C ' ' A' ' 96' ' ' ASN . 18.4 mt-10 -71.28 -176.11 1.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.739 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.544 ' C ' ' O ' ' A' ' 95' ' ' GLU . 20.4 p-10 -26.12 115.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.089 0.471 . . . . 0.0 110.641 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 98' ' ' GLU . 12.2 m-20 -120.9 26.72 8.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.823 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 97' ' ' ASP . 7.2 mt-10 -36.71 -64.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.1 mm -55.11 -51.23 56.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.886 0.374 . . . . 0.0 111.085 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 80.9 mt -58.72 -23.12 22.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.014 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -79.65 -67.32 0.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.782 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -44.33 -30.71 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.8 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.489 HG22 HD12 ' A' ' 107' ' ' ILE . 57.6 mt -76.39 -38.78 33.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.65 -37.59 88.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -35.47 72.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -73.51 -38.95 65.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.489 HD12 HG22 ' A' ' 103' ' ' ILE . 64.5 mt -66.31 -37.83 80.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -85.04 -26.88 26.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.91 -40.59 96.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.946 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -73.23 -50.02 24.7 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.025 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 1.106 HD23 HD12 ' A' ' 114' ' ' LEU . 36.6 mt -55.48 -31.08 61.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -45.56 -25.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.047 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.36 -37.01 28.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.988 0.423 . . . . 0.0 110.818 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 1.106 HD12 HD23 ' A' ' 111' ' ' LEU . 82.4 mt -68.31 -25.3 65.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 128.3 50.76 0.14 Allowed Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.299 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -133.47 -175.65 3.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.0 0.429 . . . . 0.0 110.812 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -133.76 144.63 49.17 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.954 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -109.95 143.13 40.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.964 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -99.5 110.27 22.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -38.89 -55.67 2.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.416 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -99.52 117.54 34.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.626 0.25 . . . . 0.0 110.996 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -98.03 148.29 23.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.912 0.387 . . . . 0.0 111.04 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 56.5 t -142.05 113.15 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.09 112.82 16.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -147.78 165.68 29.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.611 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.1 mp -134.89 105.87 6.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.975 0.417 . . . . 0.0 111.108 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 67.4 m -62.46 104.98 0.56 Allowed 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 33.9 mt -73.12 -35.72 66.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.968 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 164.42 134.08 1.59 Allowed Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.489 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.48 ' HB3' HG22 ' A' ' 89' ' ' VAL . 10.3 ptt85 -93.75 141.38 28.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.684 0.278 . . . . 0.0 110.905 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.79 HG22 HG12 ' A' ' 31' ' ' ILE . 62.8 t -70.52 152.27 8.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -119.36 -48.51 2.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.515 ' CZ ' ' HG2' ' A' ' 30' ' ' LYS . 30.4 p90 -163.94 115.99 1.38 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.517 HG22 ' N ' ' A' ' 135' ' ' LYS . 2.9 p -123.18 158.16 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.517 ' N ' HG22 ' A' ' 134' ' ' VAL . 1.6 mptp? -105.7 -36.05 7.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.777 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -95.64 111.37 23.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -72.89 -61.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.423 ' C ' ' HG3' ' A' ' 142' ' ' MET . 21.1 mt -40.2 -57.77 1.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 138' ' ' LEU . . . -38.05 -36.0 0.31 Allowed Glycine 0 C--O 1.229 -0.171 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.546 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 67.6 mt -58.0 -47.43 83.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.8 0.333 . . . . 0.0 110.998 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 143' ' ' LYS . . . -83.11 -54.74 4.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.423 ' HG3' ' C ' ' A' ' 138' ' ' LEU . 2.5 mtt -40.12 -25.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.725 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 141' ' ' ALA . 19.2 ttmm -91.42 -58.08 2.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 1.029 HD11 HG21 ' A' ' 87' ' ' VAL . 51.4 mt -36.99 -43.46 0.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.746 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -55.42 -47.43 75.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.002 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 143' ' ' LYS . 5.4 mm-40 -61.32 -42.74 99.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.75 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.467 ' CD2' HD11 ' A' ' 24' ' ' ILE . 7.5 mp -98.01 33.74 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.951 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -96.93 -39.21 9.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.054 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 150' ' ' GLU . 3.1 m120 -109.11 -21.62 12.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 149' ' ' ASN . 8.4 tm-20 -38.14 123.43 1.12 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.802 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -79.21 156.67 28.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -120.39 -35.76 3.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.125 0.488 . . . . 0.0 110.718 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 133.07 -163.82 24.23 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.41 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.8 p -140.55 174.7 10.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.736 0.303 . . . . 0.0 111.033 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -174.3 165.16 4.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.758 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 75.6 mt -114.27 130.49 68.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.031 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.828 HG22 HG21 ' A' ' 7' ' ' ILE . 45.1 t -86.59 100.36 9.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.207 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -91.74 -69.03 0.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.016 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.911 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -97.1 -175.02 3.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 161' ' ' GLU . 60.4 mt -131.24 156.47 42.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.481 ' N ' HG22 ' A' ' 160' ' ' ILE . 5.2 tt0 -134.0 128.28 34.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.735 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 15.2 tp -110.82 121.43 45.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -114.22 162.02 17.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.462 ' HB2' ' CD1' ' A' ' 177' ' ' LEU . 13.0 ttpt -130.37 141.88 50.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.401 ' N ' ' HG2' ' A' ' 164' ' ' LYS . 4.2 t -115.89 132.12 56.74 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.76 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 44.2 m -130.64 98.27 4.6 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 15.2 mt -68.0 133.74 49.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 30.0 p -138.28 155.24 74.19 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.435 0.636 . . . . 0.0 111.29 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -47.95 -32.56 18.16 Favored 'Trans proline' 0 N--CA 1.467 -0.083 0 C-N-CA 122.766 2.31 . . . . 0.0 112.256 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -80.2 -28.12 38.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 153.36 171.4 20.55 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.626 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.86 128.52 16.05 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.718 2.279 . . . . 0.0 112.207 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 37.6 mm -105.91 136.76 38.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.157 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -125.6 136.51 53.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -159.41 152.08 21.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.072 0.463 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.493 HG21 ' HG3' ' A' ' 179' ' ' ARG . 15.2 m -82.78 144.23 30.3 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.407 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 164' ' ' LYS . 21.5 mt -109.49 -40.31 4.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.083 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.602 ' HB2' ' HE3' ' A' ' 58' ' ' LYS . . . -155.47 138.54 15.51 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 179' ' ' ARG . . . . . 0.493 ' HG3' HG21 ' A' ' 176' ' ' THR . 14.9 mtp-105 -130.7 111.55 12.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.778 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.911 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 47.0 m-85 -98.64 99.63 10.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 181' ' ' GLU . . . . . 0.449 ' HG2' ' CB ' ' A' ' 185' ' ' HIS . 11.2 tp10 -97.08 135.11 39.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 20.9 mt -101.03 -49.06 4.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 183' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 184' ' ' GLU . 1.6 t -143.75 -177.0 5.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.874 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 184' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 183' ' ' SER . 25.9 mt-10 36.76 49.58 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 185' ' ' HIS . . . . . 0.449 ' CB ' ' HG2' ' A' ' 181' ' ' GLU . 0.0 OUTLIER -74.88 146.46 41.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.777 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -84.2 175.98 9.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.019 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -104.78 87.92 2.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.715 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 2.0 t60 38.94 45.59 0.99 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.841 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -49.07 124.01 8.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.819 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.938 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.405 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 120.914 0.388 . . . . 0.0 110.804 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 46.0 mtm-85 -94.79 90.16 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.743 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -90.89 146.74 23.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 4' ' ' PHE . 17.5 p90 -159.28 138.3 11.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.694 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.71 HD11 ' HB3' ' A' ' 44' ' ' LYS . 19.0 pt -93.38 126.96 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.84 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -123.4 167.0 14.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.111 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.759 HG21 HG22 ' A' ' 157' ' ' VAL . 57.6 mt -110.45 129.53 65.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.256 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.31 131.87 38.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.611 HG23 ' HG3' ' A' ' 14' ' ' ARG . 10.7 m -106.74 87.51 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.137 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 9' ' ' VAL . 86.2 p -36.88 153.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.822 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.73 -33.71 1.97 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.021 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.8 p -49.62 -38.35 31.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.006 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.545 HG22 HG11 ' A' ' 75' ' ' VAL . 92.5 t -89.6 -51.14 12.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.195 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.611 ' HG3' HG23 ' A' ' 9' ' ' VAL . 67.1 mtt180 -44.48 -60.02 2.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.692 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -62.47 -34.99 77.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.32 -59.92 4.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.012 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.4 mt -58.12 -49.9 75.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 14' ' ' ARG . 99.5 t -53.89 -42.03 51.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.057 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -50.35 -43.78 54.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.768 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.43 ' HB1' HD21 ' A' ' 147' ' ' LEU . . . -66.32 -51.82 53.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.03 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 24' ' ' ILE . 20.2 mt-30 -41.64 -62.07 0.96 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' GLN . 30.5 t0 -38.21 -41.48 0.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -73.93 -41.71 61.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.99 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.583 HG23 ' HD3' ' A' ' 143' ' ' LYS . 49.8 mt -55.97 -59.98 2.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.58 151.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.4 p -111.27 49.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.933 0.397 . . . . 0.0 110.898 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -71.79 -66.08 0.68 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.725 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 1.3 pm0 -82.01 -38.26 25.32 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.436 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -99.75 154.99 17.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.198 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.528 ' HG2' ' CE2' ' A' ' 133' ' ' PHE . 26.5 tptp -111.98 85.55 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.663 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.7 mt -107.62 126.21 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.103 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.85 95.44 10.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.921 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -66.47 164.14 17.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.558 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 17.5 t -111.26 150.15 13.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.098 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -41.8 164.38 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.747 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -75.53 -44.62 42.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -79.6 12.38 2.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.795 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.437 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 3.1 m120 -112.42 1.29 15.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.017 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.558 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 28.3 m-85 -88.12 9.26 23.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.494 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 2.1 p-80 -53.05 110.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.6 mt -40.64 120.73 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.247 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.7 m -75.73 103.09 5.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.074 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -64.82 -53.18 50.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.71 ' HB3' HD11 ' A' ' 5' ' ' ILE . 21.0 tttm -153.64 145.92 23.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.449 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 49.0 t80 -98.69 140.16 33.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.784 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.496 ' CB ' HD11 ' A' ' 49' ' ' ILE . 7.3 mt -112.52 -62.76 1.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.748 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 102.48 -138.39 13.9 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.555 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.21 132.25 48.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.9 0.381 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.743 HD12 ' HB3' ' A' ' 3' ' ' ALA . 24.0 mt -149.51 147.49 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 51' ' ' GLU . 41.5 p -89.73 131.93 35.45 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' THR . 22.4 tt0 -34.41 -39.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -69.73 -68.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.543 ' O ' HD12 ' A' ' 57' ' ' ILE . 30.8 mm-40 -39.08 -36.76 0.32 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.143 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.438 ' HA ' HD13 ' A' ' 57' ' ' ILE . . . -40.95 -61.05 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.025 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -46.74 -32.27 3.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.756 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.12 -47.4 80.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.79 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.711 ' H ' HD12 ' A' ' 57' ' ' ILE . 4.2 mp -63.46 -42.4 96.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.24 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.51 ' HE3' ' HB2' ' A' ' 178' ' ' ALA . 26.8 mtpt -58.03 -62.7 1.63 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.985 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.489 ' HG3' ' N ' ' A' ' 60' ' ' ILE . 4.2 ptpp? -43.65 -37.73 2.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.042 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.489 ' N ' ' HG3' ' A' ' 59' ' ' LYS . 84.9 mt -64.07 -49.48 81.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 53.5 mt -57.76 -42.93 85.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -46.36 -47.25 18.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.088 0.471 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -70.61 -60.38 2.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 84.8 mt -44.35 -64.66 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.237 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.56 -19.91 0.22 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -85.49 -51.02 6.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -18.0 43.78 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.564 ' CD2' HG12 ' A' ' 103' ' ' ILE . 47.1 m-85 -103.01 156.62 17.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.768 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -106.97 177.29 4.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -80.21 115.13 19.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.894 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.532 ' CG ' HG13 ' A' ' 99' ' ' ILE . 4.1 t-160 -95.69 143.16 27.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.042 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -105.83 103.4 12.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.903 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 34.9 m -114.86 179.64 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.108 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' A' ' 153' ' ' GLY . 0.6 OUTLIER -132.58 154.16 50.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.846 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.669 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.5 p -111.3 116.82 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.94 0.4 . . . . 0.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -165.78 148.53 7.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.79 124.1 2.87 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.391 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.454 HG23 ' O ' ' A' ' 91' ' ' TRP . 60.9 mt -120.82 130.38 74.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.92 0.391 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.94 169.04 14.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.537 -0.839 . . . . 0.0 112.517 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.432 HG21 ' HA ' ' A' ' 84' ' ' PRO . 27.7 m -138.04 159.44 33.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 120.982 0.42 . . . . 0.0 110.963 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.701 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 13.7 m-85 -143.63 154.22 59.29 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 121.657 0.741 . . . . 0.0 110.873 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.2 Cg_endo -69.65 -25.38 8.0 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.82 -1.742 . . . . 0.0 112.348 0.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 82' ' ' PRO . 1.5 m-80 -158.07 159.19 30.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 121.35 0.595 . . . . 0.0 111.096 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.432 ' HA ' HG21 ' A' ' 80' ' ' VAL . 65.1 Cg_exo -48.04 -61.77 0.54 Allowed 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.659 2.239 . . . . 0.0 112.388 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -46.15 -28.58 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.014 0.435 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -134.04 92.05 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.918 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 68.9 t -87.16 135.2 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.2 mmm-85 -133.5 -33.64 1.09 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.646 HG22 ' HG2' ' A' ' 130' ' ' ARG . 91.7 t -139.05 117.94 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 72.2 mt -86.97 131.67 34.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.273 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.701 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 37.9 p-90 -148.2 144.03 27.45 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.9 168.22 11.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -125.77 149.26 17.22 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.526 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 87.3 t -106.68 146.98 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.728 0.299 . . . . 0.0 111.207 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 96' ' ' ASN . 13.7 mt-10 -72.07 -176.89 1.88 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.066 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 95' ' ' GLU . 4.7 t-20 -34.04 105.67 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.841 0.353 . . . . 0.0 110.659 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.791 ' HB2' HD12 ' A' ' 100' ' ' ILE . 7.0 p-10 -121.75 47.24 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.682 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 101' ' ' LYS . 5.3 tp10 -49.06 -68.36 0.19 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.532 HG13 ' CG ' ' A' ' 71' ' ' HIS . 48.1 mm -39.74 -47.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.048 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.791 HD12 ' HB2' ' A' ' 97' ' ' ASP . 75.3 mt -63.34 -40.28 88.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.837 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.481 ' HG2' ' CD1' ' A' ' 122' ' ' PHE . 6.6 mtmp? -63.57 -59.07 5.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.027 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.44 ' CD ' ' HA ' ' A' ' 99' ' ' ILE . 8.3 ptpt -50.3 -38.58 42.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.564 HG12 ' CD2' ' A' ' 68' ' ' TYR . 66.0 mt -67.86 -53.96 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.106 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -48.15 -33.98 9.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.057 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -71.32 -44.22 65.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -62.27 -47.78 82.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 58.0 mt -56.14 -35.35 41.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -81.75 -32.97 31.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.904 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.74 -39.52 74.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.677 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -76.09 -42.8 46.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.012 0.434 . . . . 0.0 110.962 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.706 HD12 ' HE3' ' A' ' 44' ' ' LYS . 75.6 mt -62.31 -39.88 94.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.859 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -39.86 -35.15 0.32 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.054 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -70.28 -43.66 69.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.934 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.639 HD12 HD23 ' A' ' 111' ' ' LEU . 22.5 mt -64.69 -26.95 68.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.798 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 123.47 47.12 0.26 Allowed Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.41 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.511 ' CD2' ' HB3' ' A' ' 111' ' ' LEU . 66.2 m-85 -120.64 168.14 11.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.89 0.376 . . . . 0.0 110.981 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -107.25 151.98 24.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.06 137.32 42.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -100.15 123.91 44.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -48.53 -54.14 14.34 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -91.29 131.43 36.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.749 0.309 . . . . 0.0 111.007 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.667 ' HE1' ' HB2' ' A' ' 124' ' ' ALA . 9.8 t80 -99.82 145.34 27.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.406 ' N ' ' CD1' ' A' ' 122' ' ' PHE . 45.8 t -142.36 109.58 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.667 ' HB2' ' HE1' ' A' ' 122' ' ' PHE . . . -85.49 106.19 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.459 ' C ' HD12 ' A' ' 126' ' ' ILE . 29.5 p-80 -135.68 168.1 19.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.853 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.517 ' N ' HD12 ' A' ' 126' ' ' ILE . 4.1 mp -136.43 106.26 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.078 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 45.4 m -64.46 111.96 2.91 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' ' 34' ' ' VAL . 50.3 mt -78.99 -40.62 31.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.994 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 179.37 176.18 46.83 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.651 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.646 ' HG2' HG22 ' A' ' 89' ' ' VAL . 51.0 mtp180 -116.97 142.86 46.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 110.943 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 59.5 t -84.76 105.01 13.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.191 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 17.5 tttm -73.9 -57.26 4.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.003 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.528 ' CE2' ' HG2' ' A' ' 30' ' ' LYS . 12.3 p90 -155.62 131.47 9.91 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.6 p -134.29 147.27 30.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.142 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -109.4 -44.87 3.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -83.91 99.59 10.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -62.38 -59.62 4.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 80.5 mt -43.07 -48.84 6.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -43.31 -36.5 3.04 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.648 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.64 -63.45 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 111.016 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -61.2 -61.6 2.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.108 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 141' ' ' ALA . 6.6 mmt -36.28 -35.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.641 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.583 ' HD3' HG23 ' A' ' 24' ' ' ILE . 1.2 ttmp? -77.79 -56.28 4.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.944 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 143' ' ' LYS . 90.7 mt -37.14 -60.22 0.66 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.718 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -43.53 -49.6 7.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -58.57 -42.21 87.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.43 HD21 ' HB1' ' A' ' 20' ' ' ALA . 8.7 mp -101.11 39.89 1.35 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -105.52 -32.95 8.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.078 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 150' ' ' GLU . 32.1 m-80 -111.57 -23.48 10.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.811 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 149' ' ' ASN . 8.6 mt-10 -36.78 124.26 0.86 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.033 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -84.09 139.0 32.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.758 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.669 ' HB2' HG13 ' A' ' 75' ' ' VAL . 37.9 m-85 -103.81 -38.78 6.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLY . . . . . 0.402 ' O ' ' ND2' ' A' ' 74' ' ' ASN . . . 138.84 -164.72 25.74 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.627 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.8 m -140.88 167.04 23.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.846 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' PHE . . . . . 0.417 ' CE2' HG21 ' A' ' 13' ' ' VAL . 16.0 p90 -169.79 155.39 5.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.057 0.456 . . . . 0.0 110.803 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 54.0 mt -104.86 125.48 59.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.36 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.759 HG22 HG21 ' A' ' 7' ' ' ILE . 38.0 t -75.55 100.47 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.083 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -98.4 -67.9 0.83 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.802 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.686 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -96.33 171.14 8.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.037 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 160' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 161' ' ' GLU . 86.2 mt -126.39 151.79 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.221 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.401 ' N ' HG22 ' A' ' 160' ' ' ILE . 63.7 tt0 -126.88 145.22 50.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.519 HD23 ' HB3' ' A' ' 178' ' ' ALA . 12.8 tp -131.19 115.67 16.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -118.02 158.36 25.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.478 ' HB3' ' CD1' ' A' ' 177' ' ' LEU . 7.2 pttm -115.96 175.22 5.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.049 0.452 . . . . 0.0 110.744 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 30.9 m -144.58 127.71 16.62 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.802 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 28.6 m -134.29 99.61 4.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.043 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 16.2 mt -69.82 131.31 44.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.834 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 29.9 p -134.88 155.68 79.09 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.479 0.656 . . . . 0.0 111.439 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -47.78 -31.99 16.06 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.716 2.278 . . . . 0.0 112.399 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -80.43 -26.55 38.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 151.11 173.29 20.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.431 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.65 126.28 13.2 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.883 2.388 . . . . 0.0 112.268 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 14.9 mm -100.0 133.73 41.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.068 0.461 . . . . 0.0 111.079 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -128.32 132.33 48.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.744 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -158.58 146.25 18.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.409 HG21 ' HG2' ' A' ' 179' ' ' ARG . 24.7 m -75.02 148.27 40.0 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.212 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 164' ' ' LYS . 24.3 mt -115.86 -44.92 2.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.007 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.519 ' HB3' HD23 ' A' ' 162' ' ' LEU . . . -135.72 141.65 44.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 179' ' ' ARG . . . . . 0.409 ' HG2' HG21 ' A' ' 176' ' ' THR . 20.1 mmm-85 -135.85 109.04 7.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.939 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.686 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 20.5 m-85 -105.25 98.3 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.066 0.46 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -100.02 122.73 43.35 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 77.5 mt -72.27 -61.09 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 9.2 t -158.15 176.34 12.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.939 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -107.96 153.11 23.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.794 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -108.49 103.45 12.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.771 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -127.48 -47.44 1.44 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -38.62 -47.56 1.34 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.819 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -110.88 126.45 54.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 190' ' ' HIS . 2.4 t-160 -77.21 -48.02 18.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.062 0.458 . . . . 0.0 110.984 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 190' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 189' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.788 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 tpt . . . . . 0 N--CA 1.462 0.139 0 CA-C-O 120.721 0.296 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -71.51 67.41 0.52 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.772 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.526 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -68.34 149.21 49.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.162 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.659 ' O ' HD12 ' A' ' 162' ' ' LEU . 31.7 p90 -168.32 132.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.575 HG21 HD11 ' A' ' 61' ' ' LEU . 46.3 pt -87.95 137.98 20.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.985 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.619 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -131.72 163.98 26.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.18 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.519 HG21 HG22 ' A' ' 157' ' ' VAL . 82.8 mt -103.7 118.79 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.064 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -50.04 120.96 4.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.493 HG23 ' NE ' ' A' ' 14' ' ' ARG . 4.7 m -101.66 90.64 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 9' ' ' VAL . 11.6 t -33.93 148.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.792 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -43.85 -25.19 0.17 Allowed 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.82 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.5 p -51.46 -47.26 63.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.795 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.404 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 84.5 t -82.3 -43.17 19.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.493 ' NE ' HG23 ' A' ' 9' ' ' VAL . 22.9 mmt180 -41.5 -64.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.909 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -58.5 -43.9 89.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.737 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -44.64 -62.77 1.08 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.049 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt -55.11 -48.51 73.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.038 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.7 t -52.64 -42.46 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.939 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.0 ttm-85 -50.64 -49.5 56.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.708 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.17 -50.1 74.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.944 0.402 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -47.23 -56.17 7.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -42.9 -34.88 1.04 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.726 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -81.01 -40.49 24.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.8 mt -54.9 -57.17 7.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.935 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.43 165.07 1.85 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.459 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.3 p -132.02 42.08 3.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.854 0.359 . . . . 0.0 110.792 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -79.88 -50.7 10.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -86.39 -45.45 11.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.84 179.01 4.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.591 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 30.8 mmmt -132.59 86.82 2.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.572 HG12 HG22 ' A' ' 131' ' ' VAL . 37.3 mt -111.5 120.05 61.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.009 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.11 89.44 8.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -56.05 175.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.004 0.43 . . . . 0.0 110.826 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.567 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 46.4 t -116.51 148.91 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.961 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -42.05 159.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.075 0.464 . . . . 0.0 110.727 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.484 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 50.3 mtp180 -70.2 -42.43 72.37 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -84.47 24.7 0.96 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.476 ' ND2' ' CE2' ' A' ' 174' ' ' TYR . 3.3 m120 -128.57 11.93 6.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 27.0 m-85 -92.48 7.75 41.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.986 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.619 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 3.4 p-80 -54.84 122.37 10.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.487 HG12 ' CG1' ' A' ' 126' ' ' ILE . 44.7 mt -58.48 120.58 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.181 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 50.0 m -69.76 102.77 1.99 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.749 ' O ' HD23 ' A' ' 43' ' ' LEU . 3.6 tt -68.12 -37.47 81.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.416 ' HB3' HD11 ' A' ' 5' ' ' ILE . 8.0 tmtm? -167.39 133.1 2.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.852 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -90.08 136.71 32.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.826 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.697 ' HB3' HD11 ' A' ' 49' ' ' ILE . 20.1 mt -107.79 -63.79 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.92 -139.17 14.3 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.254 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.4 130.76 45.03 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.9 0.381 . . . . 0.0 110.811 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.697 HD11 ' HB3' ' A' ' 46' ' ' LEU . 46.0 mt -149.3 154.89 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.24 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.434 ' N ' HG22 ' A' ' 49' ' ' ILE . 21.0 p -95.76 145.71 25.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.101 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -46.92 -35.43 6.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -72.04 -38.05 69.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.763 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.611 ' O ' HD12 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -76.16 -30.48 58.13 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.768 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -40.22 -66.65 0.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.074 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -52.61 -29.02 23.74 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.408 ' CB ' ' O ' ' A' ' 53' ' ' GLN . 2.9 tt0 -60.04 -40.22 88.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.815 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 53' ' ' GLN . 3.8 mp -69.96 -44.93 78.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.042 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.453 ' HG2' ' CB ' ' A' ' 178' ' ' ALA . 0.8 OUTLIER -63.42 -58.45 7.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.116 179.638 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.491 ' HG3' ' N ' ' A' ' 60' ' ' ILE . 15.6 ptpt -44.75 -45.26 9.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.807 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.491 ' N ' ' HG3' ' A' ' 59' ' ' LYS . 77.7 mt -61.18 -50.41 80.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.575 HD11 HG21 ' A' ' 5' ' ' ILE . 44.4 mt -50.02 -48.05 52.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -49.15 -37.61 22.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.721 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -70.2 -53.0 18.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.877 0.37 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.565 HG23 ' CE1' ' A' ' 68' ' ' TYR . 90.1 mt -61.4 -67.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.202 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -43.2 -22.97 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.268 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 64' ' ' ILE . 19.2 tttp -86.08 -53.16 5.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.717 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -19.16 61.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.601 ' CD2' HG12 ' A' ' 103' ' ' ILE . 51.5 m-85 -100.0 159.67 14.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.18 177.43 4.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.981 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.449 ' HB2' ' CG2' ' A' ' 156' ' ' ILE . 8.9 ptpt -109.76 110.04 20.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.43 ' CG ' ' N ' ' A' ' 72' ' ' GLU . 38.4 t-80 -97.41 162.0 13.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.43 ' N ' ' CG ' ' A' ' 71' ' ' HIS . 10.0 tt0 -97.18 100.32 11.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.713 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 23.4 m -101.18 158.48 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.232 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 153' ' ' GLY . 16.4 t-20 -113.44 165.79 12.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.143 0.497 . . . . 0.0 110.813 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.672 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.7 p -126.71 113.52 33.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.411 ' C ' ' HD3' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -160.91 152.9 19.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.82 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.18 140.87 9.15 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.527 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 91' ' ' TRP . 84.2 mt -136.4 150.8 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.932 0.396 . . . . 0.0 111.005 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -132.2 169.0 22.34 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.468 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.4 m -133.7 175.53 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.792 0.33 . . . . 0.0 111.115 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.57 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 11.4 m-85 -158.08 149.09 16.36 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 121.578 0.704 . . . . 0.0 110.934 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 53.5 Cg_endo -69.74 -28.38 6.29 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.891 -1.712 . . . . 0.0 112.361 -0.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -157.91 161.29 29.17 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 121.627 0.727 . . . . 0.0 110.999 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -48.11 -56.33 3.21 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.733 2.288 . . . . 0.0 112.169 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -40.31 -40.54 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.971 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -134.92 91.85 2.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.2 t -80.77 127.44 39.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.276 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -118.28 -40.16 2.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.792 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 87.9 t -135.93 126.38 42.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.489 ' CD1' HD13 ' A' ' 31' ' ' ILE . 79.5 mt -91.22 136.03 25.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.111 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.57 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 51.5 p-90 -146.74 139.98 25.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.829 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.39 163.14 13.71 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.16 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.44 145.2 15.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.426 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 95' ' ' GLU . 62.2 t -99.11 154.9 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-O 120.595 0.236 . . . . 0.0 111.304 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.497 ' O ' ' C ' ' A' ' 96' ' ' ASN . 8.3 mm-40 -75.67 -176.58 3.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.497 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -29.55 115.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.687 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.593 ' OD2' HD12 ' A' ' 100' ' ' ILE . 2.1 m-20 -125.14 28.97 6.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.785 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 97' ' ' ASP . 4.2 tp10 -35.83 -49.63 0.62 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.3 mm -60.5 -61.51 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.112 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.593 HD12 ' OD2' ' A' ' 97' ' ' ASP . 79.2 mt -56.46 -19.77 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.218 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -78.18 -58.65 3.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.79 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -59.33 -32.94 70.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.028 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.601 HG12 ' CD2' ' A' ' 68' ' ' TYR . 91.7 mt -67.26 -44.52 87.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.097 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.48 -38.47 69.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.174 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -63.49 -41.48 98.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -66.6 -43.92 83.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.701 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.428 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 63.6 mt -62.39 -37.48 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.233 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -82.66 -30.13 29.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.878 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -57.06 -41.35 78.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.814 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.95 -52.41 11.26 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.954 0.406 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.736 HD23 HD12 ' A' ' 114' ' ' LEU . 74.8 mt -51.16 -42.03 60.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -38.49 -38.71 0.4 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.988 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -68.86 -39.49 79.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.736 HD12 HD23 ' A' ' 111' ' ' LEU . 48.6 mt -64.52 -17.98 64.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.74 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 112.64 42.14 0.97 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.566 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -115.82 167.62 10.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.91 0.386 . . . . 0.0 110.811 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -89.53 160.45 16.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.703 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -127.58 124.1 37.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.991 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 23.8 mp0 -97.11 110.59 23.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.974 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.28 -54.1 36.45 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.4 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -93.57 112.53 24.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.647 0.26 . . . . 0.0 110.96 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -94.61 137.89 33.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.031 0.443 . . . . 0.0 110.831 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 44.8 t -137.32 109.62 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.172 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.92 103.14 5.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.201 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.513 ' C ' HD12 ' A' ' 126' ' ' ILE . 39.3 p-80 -136.44 168.88 18.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.596 ' N ' HD12 ' A' ' 126' ' ' ILE . 3.1 mp -139.85 106.44 2.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.136 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 89.0 m -61.69 106.74 0.71 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.037 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 29.3 mt -67.9 -41.42 82.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.696 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -179.19 -168.16 37.79 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.532 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 -132.89 138.28 46.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.939 0.4 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.572 HG22 HG12 ' A' ' 31' ' ' ILE . 56.5 t -83.2 126.09 40.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.243 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -90.48 -60.42 1.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.966 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.591 ' CE2' ' HG3' ' A' ' 30' ' ' LYS . 40.3 p90 -164.16 117.66 1.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 135' ' ' LYS . 3.1 p -114.5 154.67 15.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.213 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.446 ' N ' HG22 ' A' ' 134' ' ' VAL . 14.9 mmtp -101.29 -46.59 4.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.892 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -86.2 116.34 24.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.035 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 138' ' ' LEU . 0.0 OUTLIER -78.56 -60.44 2.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 137' ' ' LYS . 30.3 mt -34.86 -60.27 0.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.954 0.406 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -37.86 -46.53 1.72 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.511 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.402 HD21 HG11 ' A' ' 134' ' ' VAL . 35.6 mt -47.31 -61.54 1.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.704 0.287 . . . . 0.0 110.693 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.594 ' HA ' HD12 ' A' ' 144' ' ' LEU . . . -68.62 -59.93 2.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.187 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 141' ' ' ALA . 23.8 mmt -35.98 -42.46 0.28 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.807 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 146' ' ' GLU . 1.7 ttmp? -70.52 -48.73 54.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.823 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 141' ' ' ALA . 64.1 mt -36.98 -41.67 0.36 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -61.55 -46.99 87.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.988 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.508 ' N ' ' OE1' ' A' ' 146' ' ' GLU . 0.7 OUTLIER -56.55 -43.62 80.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.067 0.461 . . . . 0.0 110.947 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.41 ' HB3' HD12 ' A' ' 78' ' ' ILE . 5.4 mp -100.72 37.31 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -96.69 -40.17 9.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -115.06 -18.03 11.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -40.29 108.16 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.772 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -69.62 152.06 45.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.672 ' HB2' HG13 ' A' ' 75' ' ' VAL . 48.4 m-85 -114.61 -35.02 5.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.742 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLY . . . . . 0.433 ' O ' ' ND2' ' A' ' 74' ' ' ASN . . . 138.46 -163.55 25.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.365 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 44.8 t -146.13 172.43 13.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.758 0.313 . . . . 0.0 111.009 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -173.79 171.85 3.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.991 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.449 ' CG2' ' HB2' ' A' ' 70' ' ' LYS . 79.4 mt -116.7 126.67 74.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.187 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.519 HG22 HG21 ' A' ' 7' ' ' ILE . 99.3 t -76.23 98.79 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.063 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.508 ' HB3' HD12 ' A' ' 182' ' ' LEU . 9.5 mt-10 -97.43 -72.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.987 0.423 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.693 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -95.66 172.68 7.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.24 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 95.9 mt -126.35 147.79 31.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.242 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -127.22 124.23 38.45 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 4' ' ' PHE . 12.0 tp -110.51 133.96 52.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -127.02 164.49 21.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.027 0.441 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -129.83 132.91 46.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.778 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 6.5 t -110.69 130.11 55.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 90.8 m -134.93 101.76 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 21.2 mt -68.26 130.46 42.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 20.6 p -132.94 157.77 77.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.51 0.672 . . . . 0.0 111.136 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -47.65 -32.02 15.51 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.825 2.35 . . . . 0.0 112.354 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 171' ' ' GLY . 3.0 ptmm? -80.32 -31.36 38.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.14 0.495 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 171' ' ' GLY . . . . . 0.401 ' N ' ' HG3' ' A' ' 170' ' ' LYS . . . 156.61 176.41 28.66 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.357 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 123.93 10.55 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.8 2.334 . . . . 0.0 112.338 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 39.4 mm -97.54 136.29 28.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' TYR . . . . . 0.476 ' CE2' ' ND2' ' A' ' 38' ' ' ASN . 4.6 m-85 -132.29 115.47 15.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.678 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -139.57 144.07 37.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.783 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 11.8 m -75.96 145.32 40.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.149 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 26.0 mt -104.12 -46.95 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.015 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.453 ' CB ' ' HG2' ' A' ' 58' ' ' LYS . . . -153.29 148.75 27.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.041 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -135.45 105.44 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.693 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 10.9 m-85 -90.87 98.07 11.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.835 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -100.26 123.98 45.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.661 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.508 HD12 ' HB3' ' A' ' 158' ' ' GLU . 49.9 mt -70.96 -48.63 52.28 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.806 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 20.2 p -75.86 146.6 39.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.91 0.386 . . . . 0.0 110.778 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -84.95 168.67 14.76 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.97 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -43.78 -57.86 3.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.795 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -60.24 111.91 1.72 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.899 0.38 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -145.65 160.9 41.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.947 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -77.45 159.23 29.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.963 0.411 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 189' ' ' HIS . 78.8 t60 62.9 41.85 8.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 190' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 189' ' ' HIS . 37.3 m-70 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.791 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.648 0.261 . . . . 0.0 110.759 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -97.18 101.41 12.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.935 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -98.21 135.22 40.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 4' ' ' PHE . 16.0 p90 -146.86 129.35 15.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.707 HD11 ' HB3' ' A' ' 44' ' ' LYS . 13.0 pt -93.99 119.55 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.346 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.652 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -116.9 170.5 8.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.266 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.84 HG21 HG22 ' A' ' 157' ' ' VAL . 43.2 mt -102.88 131.4 51.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.036 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -58.29 131.31 50.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.814 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 9' ' ' VAL . 34.2 m -108.82 90.55 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 11' ' ' GLU . 23.5 m -39.42 145.5 0.12 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.834 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 10' ' ' SER . 13.9 pt-20 -33.09 -41.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' GLU . 22.7 t -37.37 -58.31 0.85 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.978 0.418 . . . . 0.0 110.782 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.4 t -70.64 -46.36 69.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.422 ' O ' HG23 ' A' ' 18' ' ' VAL . 17.8 mmt180 -43.6 -60.91 1.56 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -62.32 -36.56 82.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.837 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.0 -52.61 63.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.982 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.7 mt -64.16 -55.11 24.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.957 0.408 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.916 HG21 ' HD3' ' A' ' 36' ' ' ARG . 90.8 t -50.64 -37.78 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.079 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -50.43 -45.75 56.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.969 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.91 -51.47 47.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.064 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -41.94 -60.09 1.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.817 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -39.83 -45.19 1.75 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -66.71 -44.51 81.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.769 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.6 mt -55.72 -60.08 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.94 163.39 0.13 Allowed Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.68 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.0 p -117.44 46.53 1.69 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.974 0.416 . . . . 0.0 110.94 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 tttm -68.52 -61.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' A' ' 28' ' ' GLU . 1.9 pm0 -90.66 -38.26 13.21 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.929 0.395 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.409 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -99.93 146.39 26.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.529 ' HG2' ' CE2' ' A' ' 133' ' ' PHE . 11.6 tptm -103.09 91.62 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.92 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.531 HG12 HG22 ' A' ' 131' ' ' VAL . 25.8 mt -111.05 129.08 66.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -96.6 85.29 3.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.948 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -58.11 179.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.784 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.407 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 20.2 t -122.42 151.06 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -43.46 165.83 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.916 ' HD3' HG21 ' A' ' 18' ' ' VAL . 10.4 mtm105 -76.84 -41.45 44.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -79.49 11.93 2.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.813 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.531 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 1.8 m-80 -116.27 2.71 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.454 ' CD2' ' HA ' ' A' ' 36' ' ' ARG . 20.0 m-85 -83.55 5.23 24.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.531 ' CE1' ' HA ' ' A' ' 38' ' ' ASN . 3.5 p-80 -50.18 118.99 3.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.765 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.652 ' O ' ' HB1' ' A' ' 6' ' ' ALA . 45.7 mt -56.57 125.15 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.266 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.1 m -76.74 115.24 16.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.972 0.415 . . . . 0.0 111.157 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -84.3 -59.67 2.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.707 ' HB3' HD11 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -131.73 127.53 37.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.828 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -100.55 121.54 41.76 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.734 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.681 ' HB2' HD11 ' A' ' 49' ' ' ILE . 7.3 mt -101.24 -63.37 1.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.132 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 100.92 -127.37 9.23 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.44 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -62.81 122.72 16.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.068 0.461 . . . . 0.0 110.764 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.935 HD12 ' HB3' ' A' ' 3' ' ' ALA . 50.3 mt -145.68 147.44 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.2 p -89.09 142.79 27.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.991 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -46.25 -28.16 1.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.691 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -75.15 -70.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.793 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.498 ' O ' HD12 ' A' ' 57' ' ' ILE . 65.1 mt-30 -44.45 -28.32 0.55 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.047 0.451 . . . . 0.0 111.099 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 56' ' ' GLU . . . -48.09 -67.35 0.28 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.025 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -43.27 -24.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.752 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 54' ' ' ALA . 5.0 tp10 -69.21 -63.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.813 ' H ' HD12 ' A' ' 57' ' ' ILE . 3.9 mp -36.88 -40.61 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.307 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.489 ' HE2' HD23 ' A' ' 162' ' ' LEU . 0.0 OUTLIER -56.66 -61.98 2.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.106 179.747 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -45.48 -56.62 4.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 76.6 mt -45.75 -52.88 2.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.05 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.597 HD21 HD13 ' A' ' 5' ' ' ILE . 20.4 mt -57.15 -58.1 9.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 61' ' ' LEU . 4.1 tp10 -36.55 -30.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.979 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 61' ' ' LEU . 75.0 mttt -85.57 -58.88 2.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.409 ' HA ' ' CD ' ' A' ' 67' ' ' LYS . 77.9 mt -50.47 -50.33 21.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.73 -10.87 2.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.051 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 66' ' ' LYS . 1.3 tmtp? -104.47 -41.57 5.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.409 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 4.3 ptmt -65.65 -18.54 65.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.487 ' CG ' HG12 ' A' ' 103' ' ' ILE . 45.3 m-85 -103.67 158.31 16.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -95.55 -175.95 3.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.78 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.478 ' HB3' ' CG2' ' A' ' 156' ' ' ILE . 0.3 OUTLIER -113.12 101.68 9.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.937 0.398 . . . . 0.0 110.869 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.465 ' CB ' HG13 ' A' ' 99' ' ' ILE . 21.4 t60 -98.76 143.99 28.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.77 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -86.83 110.92 20.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.5 m -104.75 173.28 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.203 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.421 ' O ' HG13 ' A' ' 94' ' ' VAL . 8.2 t30 -124.32 159.98 29.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.987 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 p -127.06 103.93 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.289 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 6.4 ttt180 -150.85 143.2 24.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.768 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.437 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 103.03 145.62 15.75 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.727 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 88.9 mt -138.14 134.8 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.816 0.341 . . . . 0.0 111.187 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.572 ' HA3' ' CZ2' ' A' ' 91' ' ' TRP . . . -111.33 158.17 14.51 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.676 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.9 m -127.4 164.89 27.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.814 0.34 . . . . 0.0 111.189 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.61 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 11.5 m-85 -151.95 149.26 23.11 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.462 0.649 . . . . 0.0 110.968 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 53.8 Cg_endo -69.78 -30.29 5.23 Favored 'Cis proline' 0 C--O 1.229 0.064 0 C-N-CA 122.591 -1.837 . . . . 0.0 112.297 0.042 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.78 161.51 29.24 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.693 0.759 . . . . 0.0 110.819 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -48.16 -65.11 0.18 Allowed 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.636 2.224 . . . . 0.0 112.462 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -42.35 -30.14 0.31 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -133.81 92.03 2.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.082 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 80.4 t -86.92 131.14 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -123.67 -42.31 2.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.799 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.404 HG22 ' HG2' ' A' ' 130' ' ' ARG . 91.2 t -133.92 122.69 42.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.928 0.394 . . . . 0.0 111.169 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 73.8 mt -87.14 123.25 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.195 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.61 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 58.3 p-90 -137.47 136.26 37.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.05 161.47 15.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.87 151.41 17.07 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.555 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 74' ' ' ASN . 88.5 t -104.92 149.92 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.891 0.376 . . . . 0.0 111.234 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.514 ' O ' ' C ' ' A' ' 96' ' ' ASN . 12.5 mm-40 -71.06 -176.06 1.31 Allowed 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.514 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.6 OUTLIER -28.86 115.37 0.09 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.814 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 95' ' ' GLU . 63.4 m-20 -129.35 29.76 5.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.766 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -40.77 -50.63 3.14 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.813 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.465 HG13 ' CB ' ' A' ' 71' ' ' HIS . 39.6 mm -54.27 -53.72 27.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.056 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.1 mt -60.77 -26.78 39.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.074 0.464 . . . . 0.0 111.227 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.401 ' HG2' ' CD1' ' A' ' 122' ' ' PHE . 30.1 mtmt -71.68 -58.6 3.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.835 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.473 ' HE3' ' CD1' ' A' ' 68' ' ' TYR . 10.2 pttt -53.72 -38.34 64.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.848 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.487 HG12 ' CG ' ' A' ' 68' ' ' TYR . 95.2 mt -67.23 -42.91 88.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.086 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.516 ' HA ' HD12 ' A' ' 107' ' ' ILE . . . -57.84 -36.86 72.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.093 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.1 tttp -65.82 -46.3 79.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.764 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -60.42 -47.25 86.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.759 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 104' ' ' ALA . 55.3 mt -51.2 -40.41 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 109' ' ' ASP . 4.4 t0 -77.84 -53.84 7.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.908 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 108' ' ' ASP . 7.0 t70 -34.78 -51.27 0.49 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.94 -47.96 70.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.663 HD23 HD12 ' A' ' 114' ' ' LEU . 51.3 mt -52.01 -44.86 64.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 111' ' ' LEU . . . -34.68 -38.66 0.08 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.887 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -65.84 -46.75 77.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.938 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.663 HD12 HD23 ' A' ' 111' ' ' LEU . 33.3 mt -65.2 -26.78 68.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.04 0.447 . . . . 0.0 110.933 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 121.47 66.38 0.25 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.631 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.558 ' CD2' ' HB3' ' A' ' 111' ' ' LEU . 96.7 m-85 -141.07 152.79 45.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.995 0.426 . . . . 0.0 110.753 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -76.52 159.35 30.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.781 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.404 ' HE2' ' HB2' ' A' ' 112' ' ' ALA . 16.0 mttm -109.18 109.6 20.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.862 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -100.07 83.6 2.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.945 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.92 -48.34 57.87 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.447 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -70.76 101.99 2.22 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.676 0.274 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.534 ' HE1' ' HB2' ' A' ' 124' ' ' ALA . 2.7 t80 -99.23 133.86 42.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 20.6 t -137.03 106.38 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.186 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.534 ' HB2' ' HE1' ' A' ' 122' ' ' PHE . . . -76.34 104.22 6.75 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -140.1 168.97 18.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.554 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.6 mp -139.78 105.78 2.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.025 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 91.3 m -64.3 106.72 1.16 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.032 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 72.0 mt -69.92 -39.59 76.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.052 0.453 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -178.6 -162.09 27.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.404 ' HG2' HG22 ' A' ' 89' ' ' VAL . 33.6 mtm180 -141.44 144.32 34.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.919 0.39 . . . . 0.0 110.874 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.531 HG22 HG12 ' A' ' 31' ' ' ILE . 61.6 t -90.18 115.02 28.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.206 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -82.69 -55.96 4.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.786 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.529 ' CE2' ' HG2' ' A' ' 30' ' ' LYS . 35.5 p90 -157.03 122.75 4.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.5 p -124.32 150.01 28.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -105.75 -43.44 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.04 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -84.69 107.0 16.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.044 0.449 . . . . 0.0 111.066 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -74.76 -64.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.829 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 37.6 mt -39.47 -48.4 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.959 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -42.99 -46.65 6.23 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.392 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 20.9 mt -50.18 -63.23 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 111.004 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.26 -52.38 65.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.215 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.4 mmt -51.56 -29.0 15.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -81.88 -54.46 5.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.014 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 57.7 mt -39.1 -58.56 1.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -38.47 -54.81 1.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.817 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -55.42 -42.71 74.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.851 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.9 mp -101.44 34.43 2.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -94.8 -35.9 11.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.217 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 150' ' ' GLU . 0.7 OUTLIER -116.43 -13.37 10.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.909 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 149' ' ' ASN . 2.8 tt0 -35.96 113.33 0.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -72.72 143.62 47.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.811 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -111.02 -37.35 5.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 138.06 -161.1 25.53 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.563 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 62.8 m -141.41 171.05 14.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.948 0.404 . . . . 0.0 111.001 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -172.52 162.86 5.33 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.478 ' CG2' ' HB3' ' A' ' 70' ' ' LYS . 85.2 mt -109.58 127.22 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.189 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.84 HG22 HG21 ' A' ' 7' ' ' ILE . 66.8 t -78.91 89.96 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.996 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.428 ' HA ' ' CG ' ' A' ' 70' ' ' LYS . 3.4 mt-10 -98.56 -67.19 0.86 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.966 0.412 . . . . 0.0 110.778 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.775 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -88.2 169.99 11.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 89.4 mt -134.58 142.84 39.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -121.86 131.12 53.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.007 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.51 ' HB2' HG22 ' A' ' 5' ' ' ILE . 17.6 tp -112.29 128.65 56.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.083 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 8.0 tttm -129.3 146.98 51.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.926 0.393 . . . . 0.0 110.983 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -107.14 168.47 9.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.764 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 14.4 m -145.29 126.82 15.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 90.3 m -134.96 100.73 4.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.201 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 32.3 mt -72.02 132.74 44.68 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 66.7 p -136.63 155.98 76.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.632 0.73 . . . . 0.0 111.163 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -48.09 -31.54 16.59 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.795 2.33 . . . . 0.0 112.2 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -27.87 37.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.053 0.454 . . . . 0.0 110.834 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 152.94 171.12 20.0 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.475 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' PRO . . . . . 0.453 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 55.6 Cg_endo -69.73 130.95 20.27 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.736 2.291 . . . . 0.0 112.518 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 46.6 mm -101.6 127.58 54.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -125.75 126.39 44.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 176' ' ' THR . 5.7 tp10 -156.29 149.01 23.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.854 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.426 ' N ' ' HG3' ' A' ' 175' ' ' GLU . 5.3 m -82.63 150.89 26.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.127 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 36.4 mt -117.61 -39.25 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -150.69 130.75 13.46 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.218 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -125.96 110.34 13.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.031 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.775 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 22.1 m-85 -101.28 99.05 9.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -96.86 131.41 43.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 183' ' ' SER . 63.1 mt -110.79 -47.06 3.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.76 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 183' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 182' ' ' LEU . 8.2 t -36.68 149.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.94 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -79.88 110.91 15.69 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -37.69 -44.47 0.71 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.03 0.443 . . . . 0.0 110.883 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -55.03 -56.91 14.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -41.74 127.95 3.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.815 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -154.47 158.08 39.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -90.23 175.39 7.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.842 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 38.8 m80 . . . . . 0 C--O 1.234 0.25 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.827 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.427 ' CE ' ' HB2' ' A' ' 54' ' ' ALA . 6.9 ptt? . . . . . 0 N--CA 1.454 -0.233 0 CA-C-O 121.031 0.443 . . . . 0.0 110.746 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -85.36 87.04 7.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.762 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.796 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -86.69 146.23 26.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.143 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.559 ' CD1' ' O ' ' A' ' 4' ' ' PHE . 6.4 p90 -167.39 135.98 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.796 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.613 HD11 ' HB3' ' A' ' 44' ' ' LYS . 42.3 pt -88.94 139.89 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.07 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -137.3 173.01 12.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.048 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.674 HD11 HD12 ' A' ' 43' ' ' LEU . 66.3 mt -115.49 122.05 68.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.168 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -50.35 136.0 20.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.79 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.454 HG23 ' HG3' ' A' ' 14' ' ' ARG . 4.1 m -115.97 86.62 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.159 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -42.91 165.44 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -46.09 -42.04 13.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.74 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.2 p -41.01 -35.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.792 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.593 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 41.9 t -97.38 -58.34 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.118 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.454 ' HG3' HG23 ' A' ' 9' ' ' VAL . 40.6 mtt180 -38.54 -69.66 0.12 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.824 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -50.07 -35.52 25.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.849 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -57.85 -62.96 1.43 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.826 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.517 HD23 ' CE1' ' A' ' 152' ' ' PHE . 93.6 mt -57.01 -43.07 81.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.745 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.416 HG21 ' CZ ' ' A' ' 36' ' ' ARG . 93.4 t -62.7 -34.38 65.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.2 tpt85 -58.2 -48.86 79.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.767 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.55 -52.93 63.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.167 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -44.53 -53.14 7.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -45.73 -43.29 12.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.714 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -70.74 -28.16 64.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.95 0.405 . . . . 0.0 110.979 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.4 mt -70.19 -60.3 2.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.228 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.6 151.97 0.41 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.386 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.3 p -117.58 52.58 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.96 0.41 . . . . 0.0 110.937 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -92.96 -54.6 3.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.471 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -86.42 -38.5 17.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.471 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -100.15 171.98 7.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.5 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 2.4 tmtm? -125.89 94.74 4.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.47 HG12 HG22 ' A' ' 131' ' ' VAL . 21.6 mt -122.38 134.1 66.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -101.31 82.93 2.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -56.79 166.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.462 HG12 ' CB ' ' A' ' 38' ' ' ASN . 25.0 t -105.27 145.91 12.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.28 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -38.59 155.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.957 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 5.5 ttt85 -65.66 -42.15 91.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.71 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -81.33 15.71 1.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.99 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.462 ' CB ' HG12 ' A' ' 34' ' ' VAL . 2.7 m120 -120.05 11.39 11.68 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' A' ' 36' ' ' ARG . 22.7 m-85 -89.94 7.78 35.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.66 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -55.21 128.69 35.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.957 0.408 . . . . 0.0 110.778 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.3 mt -63.83 117.31 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.06 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 44.7 m -74.69 104.13 5.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.205 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.674 HD12 HD11 ' A' ' 7' ' ' ILE . 5.2 tt -75.64 -53.41 8.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.613 ' HB3' HD11 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -138.73 124.17 19.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.048 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -93.55 133.81 36.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.524 ' CB ' HD11 ' A' ' 49' ' ' ILE . 8.6 mt -114.77 -67.34 1.0 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.38 -129.68 9.98 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.432 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -64.58 129.0 38.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 110.981 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.796 HD12 ' HB3' ' A' ' 3' ' ' ALA . 14.7 mt -150.32 153.64 10.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 52' ' ' GLU . 44.6 p -104.6 133.11 50.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' THR . 28.0 tt0 -37.12 -28.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.764 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 50' ' ' THR . 19.8 mt-10 -71.27 -48.67 49.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.982 0.42 . . . . 0.0 111.111 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' THR . 66.5 mm-40 -74.26 -35.46 63.78 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.074 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.427 ' HB2' ' CE ' ' A' ' 1' ' ' MET . . . -47.88 -55.66 9.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -55.06 -15.68 2.31 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -77.9 -53.05 7.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.665 HG13 HD21 ' A' ' 111' ' ' LEU . 1.7 mp -42.34 -54.0 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.186 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.591 ' HE2' ' HB2' ' A' ' 178' ' ' ALA . 68.4 mttt -36.33 -70.55 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 58' ' ' LYS . 44.1 mttm -33.94 -67.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.981 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 85.8 mt -40.42 -53.72 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.222 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.4 mt -54.05 -50.8 65.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.787 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -56.86 -28.51 61.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.737 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -85.67 -19.63 30.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.8 mt -92.26 -62.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.52 -17.02 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.152 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -30.12 19.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.02 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -84.9 -11.84 54.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -110.96 158.12 19.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -103.18 -178.24 3.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.46 ' HB2' ' CG2' ' A' ' 156' ' ' ILE . 0.0 OUTLIER -111.04 109.91 20.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.961 179.764 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.16 172.76 7.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.753 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -109.41 95.41 5.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.9 m -106.28 160.77 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.013 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.493 ' ND2' ' CB ' ' A' ' 95' ' ' GLU . 6.2 p30 -118.47 160.27 22.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.633 HG13 ' HB2' ' A' ' 152' ' ' PHE . 1.6 p -113.5 94.32 3.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.015 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -138.49 138.87 38.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.15 131.94 6.83 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.344 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.509 HD12 ' HB3' ' A' ' 147' ' ' LEU . 62.3 mt -126.57 145.46 34.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.952 0.406 . . . . 0.0 111.08 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.19 173.51 15.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.416 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.425 HG21 ' HA ' ' A' ' 84' ' ' PRO . 32.7 m -139.05 171.7 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.882 0.373 . . . . 0.0 111.18 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.637 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 10.1 m-85 -157.79 149.54 17.14 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.608 0.718 . . . . 0.0 111.047 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.4 Cg_endo -69.88 -22.27 9.84 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.733 -1.778 . . . . 0.0 112.469 0.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 86' ' ' TYR . 0.5 OUTLIER -162.93 162.52 18.26 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.738 0.78 . . . . 0.0 110.83 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.425 ' HA ' HG21 ' A' ' 80' ' ' VAL . 67.2 Cg_exo -47.77 -63.73 0.29 Allowed 'Trans proline' 0 CA--C 1.527 0.128 0 C-N-CA 122.796 2.331 . . . . 0.0 112.276 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 84' ' ' PRO . 11.6 m-20 -37.8 -38.29 0.28 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 83' ' ' ASN . 4.1 t80 -131.89 100.72 5.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.3 t -93.71 130.15 43.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -126.43 -31.33 2.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.694 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 79.6 t -138.2 121.0 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 84.6 mt -91.56 118.52 37.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.131 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.637 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 28.9 p-90 -129.95 135.44 48.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.986 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -89.19 156.43 18.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.963 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.04 154.42 17.69 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.314 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 74' ' ' ASN . 84.4 t -107.25 147.3 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.619 0.247 . . . . 0.0 111.225 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' A' ' 96' ' ' ASN . 17.3 mm-40 -70.65 -176.25 1.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.751 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.528 ' C ' ' O ' ' A' ' 95' ' ' GLU . 9.5 p-10 -25.31 108.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.037 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.699 ' HB2' HD12 ' A' ' 100' ' ' ILE . 2.6 p30 -128.68 37.05 4.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 101' ' ' LYS . 9.0 tt0 -37.19 -71.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 98' ' ' GLU . 10.1 mm -35.24 -55.29 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.04 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.699 HD12 ' HB2' ' A' ' 97' ' ' ASP . 62.1 mt -55.53 -39.31 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.188 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 98' ' ' GLU . 6.6 mtmp? -67.52 -64.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.423 ' CE ' HD13 ' A' ' 99' ' ' ILE . 14.2 ptpt -47.0 -28.07 1.51 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.959 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.431 HD12 HG22 ' A' ' 99' ' ' ILE . 94.9 mt -80.89 -46.35 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.09 0.471 . . . . 0.0 111.376 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.31 -39.5 64.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.032 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 106' ' ' GLU . 5.3 ptmm? -73.05 -34.2 66.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.825 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' ' 105' ' ' LYS . 29.1 tp10 -68.76 -44.1 74.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.649 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.9 mt -63.84 -30.88 51.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.077 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.41 ' CG ' ' HA ' ' A' ' 118' ' ' LYS . 4.8 t0 -77.16 -39.31 49.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.013 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -57.04 -35.24 69.06 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -83.05 -50.08 8.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.815 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.834 HD23 HD12 ' A' ' 114' ' ' LEU . 74.7 mt -56.65 -41.42 77.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.44 -40.84 1.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.038 0.446 . . . . 0.0 111.131 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -65.5 -38.32 89.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.71 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.834 HD12 HD23 ' A' ' 111' ' ' LEU . 76.8 mt -65.57 -27.26 68.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 122.36 48.76 0.26 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.396 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -130.67 148.87 52.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.944 0.402 . . . . 0.0 110.772 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -67.08 157.11 34.37 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.828 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.41 ' HA ' ' CG ' ' A' ' 108' ' ' ASP . 1.4 ttmp? -121.38 127.5 51.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -100.0 116.08 31.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.776 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -46.61 -72.91 0.34 Allowed Glycine 0 C--O 1.228 -0.224 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.387 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.51 127.22 44.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.662 0.268 . . . . 0.0 110.996 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -97.27 151.6 19.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 57.4 t -140.46 117.12 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.977 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.6 106.49 9.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.97 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.547 ' C ' HD12 ' A' ' 126' ' ' ILE . 6.5 p80 -143.67 168.05 20.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.015 0.436 . . . . 0.0 110.758 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.578 ' N ' HD12 ' A' ' 126' ' ' ILE . 3.3 mp -141.12 106.36 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 83.4 m -62.79 112.56 2.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 86.8 mt -72.66 -38.65 67.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.785 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 177.46 -166.84 37.53 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.555 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -129.37 139.08 51.82 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.747 0.308 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.47 HG22 HG12 ' A' ' 31' ' ' ILE . 62.3 t -90.74 111.86 24.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.019 0.438 . . . . 0.0 111.072 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -84.03 -55.67 4.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.01 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 133' ' ' PHE . 2.2 p90 -154.19 138.72 16.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.947 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.457 HG21 HD21 ' A' ' 140' ' ' LEU . 2.1 p -133.77 153.14 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.132 0.491 . . . . 0.0 111.019 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -109.01 -49.45 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.819 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -82.86 115.26 21.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -60.48 2.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.418 HD22 ' CE ' ' A' ' 142' ' ' MET . 38.0 mt -42.34 -53.85 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -38.28 -43.75 1.51 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.526 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.457 HD21 HG21 ' A' ' 134' ' ' VAL . 22.3 mt -59.4 -63.28 1.36 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.901 0.381 . . . . 0.0 110.815 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -60.66 -58.37 8.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.012 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.418 ' CE ' HD22 ' A' ' 138' ' ' LEU . 8.9 mmt -37.31 -44.66 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.083 0.468 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 146' ' ' GLU . 11.4 mttp -72.32 -62.46 1.43 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.756 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 42.4 mt -40.58 -42.45 1.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.057 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.41 ' HD3' ' C ' ' A' ' 145' ' ' LYS . 11.4 tmtt? -61.04 -39.49 90.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 143' ' ' LYS . 80.3 mm-40 -76.87 -53.23 8.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.975 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.509 ' HB3' HD12 ' A' ' 78' ' ' ILE . 3.1 mp -71.17 -6.26 38.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 144' ' ' LEU . . . -65.23 -33.92 77.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 150' ' ' GLU . 14.0 m120 -115.72 -23.2 8.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.929 0.395 . . . . 0.0 110.771 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 149' ' ' ASN . 6.1 tt0 -38.39 107.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.025 0.441 . . . . 0.0 110.808 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -65.92 145.69 55.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.633 ' HB2' HG13 ' A' ' 75' ' ' VAL . 64.1 m-85 -108.0 -32.31 7.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.688 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 139.89 -163.73 26.2 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.537 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 23.7 p -145.53 164.69 30.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.794 0.331 . . . . 0.0 110.884 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -170.45 165.07 8.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.46 ' CG2' ' HB2' ' A' ' 70' ' ' LYS . 96.6 mt -112.07 129.51 67.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 85.6 t -81.69 99.74 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.181 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.518 ' O ' HD11 ' A' ' 182' ' ' LEU . 20.7 mt-10 -95.94 -73.66 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.766 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.612 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -97.32 177.43 5.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.109 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 83.2 mt -129.51 143.11 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.303 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -119.13 125.02 48.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.019 0.438 . . . . 0.0 110.89 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 163' ' ' LYS . 4.7 tp -106.99 120.93 43.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.59 ' N ' HD12 ' A' ' 162' ' ' LEU . 50.3 mttt -125.82 153.08 44.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.01 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.448 ' HD2' HD21 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -114.72 172.2 7.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.503 ' OG ' ' CZ ' ' A' ' 174' ' ' TYR . 1.7 m -137.11 121.81 18.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 97.1 m -129.13 99.51 5.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.009 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 9.6 mt -65.95 133.24 50.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 44.2 p -137.64 155.36 75.21 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.391 0.615 . . . . 0.0 111.204 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -47.67 -32.94 17.45 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.827 2.352 . . . . 0.0 112.244 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -79.93 -26.17 40.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 149.11 173.4 19.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.607 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.55 129.43 17.82 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.339 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 49.8 mm -101.24 128.8 53.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' TYR . . . . . 0.503 ' CZ ' ' OG ' ' A' ' 165' ' ' SER . 4.4 m-85 -129.03 120.99 26.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 164' ' ' LYS . 30.5 tt0 -151.6 159.67 43.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.805 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.403 HG21 ' HG3' ' A' ' 179' ' ' ARG . 8.5 m -85.0 146.45 27.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.193 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.448 HD21 ' HD2' ' A' ' 164' ' ' LYS . 21.7 mt -110.77 -34.23 6.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.969 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.591 ' HB2' ' HE2' ' A' ' 58' ' ' LYS . . . -149.06 149.26 30.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.15 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 179' ' ' ARG . . . . . 0.403 ' HG3' HG21 ' A' ' 176' ' ' THR . 0.0 OUTLIER -139.68 108.59 5.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.749 -179.696 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.612 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 88.6 m-85 -99.4 100.6 11.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.822 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -97.11 125.9 41.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.059 0.457 . . . . 0.0 110.736 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.518 HD11 ' O ' ' A' ' 158' ' ' GLU . 21.7 mt -82.39 -64.39 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.953 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 3.6 t -114.07 161.3 17.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -74.81 141.69 44.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.969 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -106.51 98.9 8.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.676 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -120.77 109.59 15.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.725 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -119.23 126.78 52.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.809 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 188' ' ' HIS . . . . . 0.535 ' CG ' ' O ' ' A' ' 188' ' ' HIS . 8.5 p-80 -108.45 118.53 37.01 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -113.77 131.01 56.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 2.6 t60 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -179.86 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 ptt? . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.879 0.371 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.37 111.95 20.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.839 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.63 160.93 13.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -171.57 133.87 0.81 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.041 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.44 HD11 ' HB3' ' A' ' 44' ' ' LYS . 8.2 pt -98.87 115.75 40.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.089 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.485 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -115.09 166.37 11.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.562 HG21 HG22 ' A' ' 157' ' ' VAL . 36.3 mt -109.06 123.21 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.196 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -50.95 128.4 21.2 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.059 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 m -104.8 90.36 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.959 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 t -44.33 169.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.712 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -51.63 -40.6 60.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.807 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.8 p -43.09 -35.16 1.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 56.1 t -96.26 -52.1 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.274 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -46.23 -68.16 0.22 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -48.4 -40.96 27.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.455 ' HB1' ' HA ' ' A' ' 152' ' ' PHE . . . -57.19 -57.16 13.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.6 mt -59.69 -47.07 87.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.017 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.3 t -57.45 -41.79 79.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.281 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -49.01 -45.68 42.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.686 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.67 -50.93 65.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.056 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -45.69 -57.1 4.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -41.89 -38.41 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -75.06 -40.28 60.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.048 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.467 HG23 ' HD3' ' A' ' 143' ' ' LYS . 53.4 mt -52.25 -57.15 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.15 160.26 0.37 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.536 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.2 p -123.07 44.59 2.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.799 0.333 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -79.13 -61.43 2.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.62 -52.89 7.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.804 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.79 149.9 22.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.218 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -103.82 109.04 20.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.926 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.421 HG12 HG22 ' A' ' 131' ' ' VAL . 17.2 mt -126.41 129.01 71.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.136 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -89.64 88.66 7.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -56.13 174.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.0 0.429 . . . . 0.0 111.045 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 128' ' ' LEU . 58.0 t -119.06 147.12 22.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -40.95 161.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.843 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.3 mtt85 -72.68 -43.59 62.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.953 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -83.34 21.37 1.16 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.044 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -122.94 4.11 9.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.05 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.432 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 24.1 m-85 -84.66 6.0 25.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.485 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 2.4 p-80 -49.9 141.05 11.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.4 mt -79.17 119.04 27.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.6 m -70.29 105.88 3.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.953 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.588 ' O ' HD23 ' A' ' 43' ' ' LEU . 4.6 tt -68.82 -44.05 74.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.44 ' HB3' HD11 ' A' ' 5' ' ' ILE . 9.1 tmtt? -162.35 125.65 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -86.47 131.41 34.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.966 0.412 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.669 ' HB3' HD11 ' A' ' 49' ' ' ILE . 21.4 mt -102.57 -60.37 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.757 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.6 -132.51 11.05 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.332 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -63.4 132.09 50.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.85 0.357 . . . . 0.0 110.993 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.669 HD11 ' HB3' ' A' ' 46' ' ' LEU . 15.2 mt -155.39 144.11 12.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.412 ' C ' ' N ' ' A' ' 52' ' ' GLU . 47.8 p -87.87 137.84 31.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.229 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -43.67 -22.84 0.06 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 50' ' ' THR . 14.0 mt-10 -77.94 -61.47 1.99 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.618 ' O ' HD12 ' A' ' 57' ' ' ILE . 21.7 mt-30 -59.33 -25.84 64.52 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.087 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.98 -51.19 10.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -62.57 -32.39 73.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -57.56 -51.74 68.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.723 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.746 ' H ' HD12 ' A' ' 57' ' ' ILE . 4.0 mp -51.64 -54.64 11.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.171 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.456 ' HE3' ' CB ' ' A' ' 178' ' ' ALA . 42.1 mtpt -36.27 -71.42 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.7 mmtp -37.25 -58.2 0.83 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.765 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.496 HG22 HD12 ' A' ' 64' ' ' ILE . 76.7 mt -43.94 -42.7 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.6 mt -74.31 -58.73 3.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.855 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -43.88 -38.63 3.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.943 0.402 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -77.98 -66.12 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.496 HD12 HG22 ' A' ' 60' ' ' ILE . 70.2 mt -41.04 -69.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.987 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.429 ' HB2' ' CD1' ' A' ' 160' ' ' ILE . . . -36.03 -34.73 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.061 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 64' ' ' ILE . 25.4 tptp -79.78 -45.14 19.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.701 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 64' ' ' ILE . 10.2 ptpt -56.35 -14.33 2.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.005 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.494 ' HE1' HG23 ' A' ' 64' ' ' ILE . 54.0 m-85 -103.08 172.4 6.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.943 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -109.09 144.88 36.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' CD ' ' HA ' ' A' ' 158' ' ' GLU . 20.0 mmtm -61.37 110.02 1.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.581 ' O ' HG23 ' A' ' 156' ' ' ILE . 10.4 t60 -99.41 155.77 17.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.999 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -112.13 103.63 11.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.94 0.4 . . . . 0.0 110.762 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 29.3 m -106.0 167.87 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.497 ' OD1' ' N ' ' A' ' 75' ' ' VAL . 2.6 t-20 -121.88 159.37 26.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.739 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.4 p -120.29 114.07 42.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 28.5 ttt180 -164.99 147.22 8.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.858 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.419 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 95.99 137.67 9.39 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.691 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 91' ' ' TRP . 65.7 mt -131.81 136.03 57.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.735 0.303 . . . . 0.0 111.208 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -112.62 169.77 13.17 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.448 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.9 m -139.47 160.65 28.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.832 0.349 . . . . 0.0 111.174 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.594 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 11.2 m-85 -145.41 152.1 49.06 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.867 0.841 . . . . 0.0 110.773 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.3 Cg_endo -69.73 -22.28 9.7 Favored 'Cis proline' 0 C--N 1.343 0.257 0 C-N-CA 122.763 -1.766 . . . . 0.0 112.379 0.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -166.12 163.08 12.17 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.808 0.813 . . . . 0.0 110.82 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 85' ' ' ASN . 65.0 Cg_exo -47.85 -63.29 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' PRO . 6.2 m120 -37.94 -37.97 0.28 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -133.88 99.38 4.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 54.3 t -89.63 130.65 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.259 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -124.94 -39.48 2.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.1 t -134.22 122.32 40.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.15 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 82.2 mt -89.87 130.02 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.594 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 30.3 p-90 -144.66 146.3 32.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -95.62 164.29 12.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.96 149.53 17.0 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.372 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.4 t -100.31 146.94 8.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.781 0.324 . . . . 0.0 111.128 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' A' ' 96' ' ' ASN . 48.2 mm-40 -71.68 -176.61 1.66 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.503 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.5 OUTLIER -29.61 99.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -123.06 54.02 1.27 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.804 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -68.81 -42.96 76.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.948 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.554 HG21 ' HB2' ' A' ' 71' ' ' HIS . 10.1 mm -61.45 -33.01 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.023 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.426 HD11 HG21 ' A' ' 157' ' ' VAL . 58.7 mt -78.38 -19.43 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.089 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -75.15 -70.95 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.789 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.435 ' NZ ' ' HB3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -38.15 -39.88 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.0 mt -64.07 -59.09 4.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.156 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -49.79 -35.8 23.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.004 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -71.42 -38.15 71.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.715 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -67.06 -49.48 64.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.758 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 66.8 mt -52.57 -40.66 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 111' ' ' LEU . 12.9 t70 -73.78 -54.89 7.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.06 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 108' ' ' ASP . 1.7 m-20 -37.04 -47.94 0.76 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -67.94 -41.64 82.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.036 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.902 HD23 HD12 ' A' ' 114' ' ' LEU . 38.3 mt -60.91 -38.74 86.77 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.949 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -38.91 -34.6 0.16 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.009 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -76.18 -39.65 54.32 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.786 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.902 HD12 HD23 ' A' ' 111' ' ' LEU . 55.9 mt -66.67 -26.31 66.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.959 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 123.91 61.6 0.19 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.42 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.551 ' CE1' HD22 ' A' ' 111' ' ' LEU . 89.7 m-85 -140.05 162.13 35.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.028 0.442 . . . . 0.0 110.697 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -79.02 156.54 28.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.017 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.82 118.26 36.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.785 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -98.71 104.92 17.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.837 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.06 -73.87 0.38 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.352 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -93.41 124.73 37.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.042 0.449 . . . . 0.0 110.903 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -99.72 152.55 19.97 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 93.9 t -138.6 132.58 41.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.39 98.18 9.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.184 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.425 ' C ' HD12 ' A' ' 126' ' ' ILE . 10.2 p80 -132.72 164.69 26.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.647 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.616 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.7 mp -136.99 106.7 4.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 99.7 m -64.85 112.14 3.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.965 0.412 . . . . 0.0 111.241 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.525 ' O ' HG23 ' A' ' 34' ' ' VAL . 47.0 mt -74.43 -41.41 60.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.975 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -175.24 -168.97 36.49 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.546 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -132.84 149.36 52.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.81 0.338 . . . . 0.0 110.81 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.421 HG22 HG12 ' A' ' 31' ' ' ILE . 80.5 t -97.9 113.17 31.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.31 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.61 -57.02 3.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -156.36 132.1 9.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.478 ' CG2' ' N ' ' A' ' 135' ' ' LYS . 1.7 p -131.99 157.31 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.232 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.478 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 46.0 tttt -107.21 -40.7 5.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.19 108.89 20.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.095 0.474 . . . . 0.0 110.819 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -69.48 -59.23 3.12 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.8 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 33.6 mt -41.37 -59.18 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -37.85 -35.3 0.23 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.449 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 67.0 mt -56.06 -56.4 21.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.63 0.252 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -74.92 -51.76 12.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.093 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 31.8 mmt -39.63 -37.81 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.467 ' HD3' HG23 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -68.03 -50.59 54.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 39.9 mt -42.18 -62.52 0.92 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.722 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 21.1 mmtm -38.91 -43.36 0.95 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.982 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -67.49 -43.84 79.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.038 0.447 . . . . 0.0 110.996 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.3 mp -98.78 34.48 2.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.668 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -100.41 -32.48 10.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 150' ' ' GLU . 23.8 p30 -109.11 -30.62 7.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 149' ' ' ASN . 9.3 mt-10 -35.42 122.31 0.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.814 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -83.77 162.8 20.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.739 ' HB2' HG13 ' A' ' 75' ' ' VAL . 63.3 m-85 -125.08 -36.92 2.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 137.12 -164.29 25.29 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.513 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 17.8 m -145.81 164.56 31.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.026 0.441 . . . . 0.0 110.864 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -166.33 173.88 9.62 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.855 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 71' ' ' HIS . 57.4 mt -115.98 131.52 68.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.562 HG22 HG21 ' A' ' 7' ' ' ILE . 95.6 t -86.74 98.36 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.978 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.448 ' HA ' ' CD ' ' A' ' 70' ' ' LYS . 14.6 mp0 -99.99 -70.65 0.73 Allowed 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.775 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -86.46 176.1 8.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.165 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' ILE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 65' ' ' ALA . 85.0 mt -137.32 150.75 26.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.042 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -119.66 133.35 55.68 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.07 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 49.1 tp -115.89 101.68 9.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.053 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -105.58 166.27 10.57 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.971 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.605 ' HG2' HD21 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -125.64 176.42 6.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.044 0.45 . . . . 0.0 110.683 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 29.4 t -145.32 130.05 18.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.725 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 32.3 m -141.95 105.18 4.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.043 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.88 134.08 41.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 68.7 p -135.19 155.85 78.58 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.355 0.598 . . . . 0.0 111.355 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -48.13 -32.31 18.55 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.834 2.356 . . . . 0.0 112.259 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -80.42 -26.81 38.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.973 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 151.25 175.39 23.04 Favored Glycine 0 C--N 1.328 0.139 0 C-N-CA 120.839 -0.695 . . . . 0.0 112.419 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 136.3 32.54 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.564 2.176 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 47.9 mm -108.4 119.86 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.276 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -117.38 115.28 24.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -143.18 162.21 36.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.402 HG21 ' HG3' ' A' ' 179' ' ' ARG . 3.3 m -92.77 148.35 22.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.062 0.458 . . . . 0.0 110.967 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.605 HD21 ' HG2' ' A' ' 164' ' ' LYS . 20.0 mt -110.16 -37.01 5.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.958 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.456 ' CB ' ' HE3' ' A' ' 58' ' ' LYS . . . -156.51 141.21 16.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.025 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 179' ' ' ARG . . . . . 0.428 ' HD3' ' N ' ' A' ' 179' ' ' ARG . 1.1 mpp_? -127.64 105.02 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.775 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 10.2 m-85 -92.33 98.27 11.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -100.11 130.26 46.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 27.0 mt -98.29 -60.89 1.46 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.113 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 72.5 m -129.18 139.91 51.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.813 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.51 156.62 35.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.034 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -152.08 114.59 4.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 186' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 187' ' ' HIS . 18.2 t-160 -141.63 140.41 33.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 186' ' ' HIS . 32.3 m170 -36.64 -51.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -142.82 160.96 39.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -85.67 89.9 7.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.014 0.435 . . . . 0.0 111.007 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.04 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.8 ptt? . . . . . 0 N--CA 1.456 -0.139 0 CA-C-O 120.657 0.265 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -76.54 75.68 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.749 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.778 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -68.72 149.14 49.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.285 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.493 ' O ' HD12 ' A' ' 162' ' ' LEU . 45.0 p90 -163.73 131.99 3.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.966 0.412 . . . . 0.0 110.704 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.841 HD11 ' HB3' ' A' ' 44' ' ' LYS . 32.5 pt -87.41 140.68 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -145.18 165.42 28.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.8 mt -109.5 136.69 44.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.224 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.93 132.93 55.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.752 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.427 HG23 ' HG3' ' A' ' 14' ' ' ARG . 3.0 m -109.86 91.4 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 t -44.62 168.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.616 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -52.73 -33.84 49.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.039 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.6 p -47.89 -35.04 9.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.0 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 96.7 t -96.78 -58.2 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.112 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.731 ' O ' HG23 ' A' ' 18' ' ' VAL . 77.7 mtt180 -40.71 -61.04 1.01 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.866 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -55.68 -42.57 75.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.48 -62.81 1.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.4 mt -52.22 -40.41 61.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.743 HG21 ' HD3' ' A' ' 36' ' ' ARG . 98.0 t -61.2 -40.21 85.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.023 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.7 ttt85 -53.41 -45.42 69.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.676 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.53 -51.7 68.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 24' ' ' ILE . 18.8 mt-30 -46.25 -60.9 2.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -40.35 -38.92 0.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.805 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.534 ' CD2' HD11 ' A' ' 147' ' ' LEU . 48.5 t80 -77.1 -32.94 56.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.974 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.481 ' N ' ' O ' ' A' ' 21' ' ' GLN . 69.1 mt -67.63 -62.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.21 164.31 0.17 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.473 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.4 p -114.97 39.77 2.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.072 0.463 . . . . 0.0 110.961 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -58.91 -64.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.719 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -92.83 -41.7 9.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.44 146.9 25.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.989 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.583 ' HG3' ' CZ ' ' A' ' 133' ' ' PHE . 1.7 mmmp? -104.62 116.64 32.4 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.746 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.715 HG12 HG22 ' A' ' 131' ' ' VAL . 35.9 mt -135.26 121.94 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.089 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -83.32 81.11 8.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.938 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -56.98 162.68 2.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.981 0.419 . . . . 0.0 110.791 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.513 HG12 ' N ' ' A' ' 35' ' ' GLU . 22.0 t -104.81 160.78 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.184 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.513 ' N ' HG12 ' A' ' 34' ' ' VAL . 58.8 mm-40 -51.62 165.99 0.15 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.743 ' HD3' HG21 ' A' ' 18' ' ' VAL . 7.0 mtt85 -74.28 -41.73 60.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.2 pm0 -87.3 26.44 1.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.948 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -126.61 6.98 6.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -87.59 6.45 34.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -48.34 117.85 2.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.479 HG12 HD11 ' A' ' 126' ' ' ILE . 56.6 mt -54.73 125.01 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.317 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.1 m -78.83 102.7 8.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.013 0.435 . . . . 0.0 111.024 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.66 ' O ' HD23 ' A' ' 43' ' ' LEU . 4.6 tt -64.53 -39.43 93.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.841 ' HB3' HD11 ' A' ' 5' ' ' ILE . 19.8 tttm -166.09 140.12 4.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.682 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -96.08 140.0 31.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.5 mt -110.84 -64.18 1.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.014 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.55 -134.9 12.51 Favored Glycine 0 C--O 1.227 -0.315 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.33 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -66.11 133.99 51.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.71 0.291 . . . . 0.0 111.034 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.778 HD12 ' HB3' ' A' ' 3' ' ' ALA . 11.9 mt -152.96 146.52 14.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.054 0.454 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.7 p -95.5 144.63 25.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.285 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -47.47 -28.66 2.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -71.94 -64.87 0.85 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.446 ' O ' HD12 ' A' ' 57' ' ' ILE . 78.0 mm-40 -51.19 -24.1 3.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.06 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.47 ' HA ' HD13 ' A' ' 57' ' ' ILE . . . -52.61 -39.19 61.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.119 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -65.52 -19.8 66.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.988 0.423 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.534 ' HG2' HD21 ' A' ' 114' ' ' LEU . 4.6 tp10 -77.33 -58.27 3.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.964 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.796 ' H ' HD12 ' A' ' 57' ' ' ILE . 3.9 mp -39.23 -61.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.711 ' HE2' ' HB2' ' A' ' 178' ' ' ALA . 92.0 mttt -34.53 -72.21 0.06 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.03 0.443 . . . . 0.0 111.075 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' LYS . 63.1 mmtt -34.31 -54.18 0.51 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.041 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 67.7 mt -51.24 -52.56 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.219 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.9 mt -60.07 -56.93 15.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -46.93 -40.23 13.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.788 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -71.5 -52.99 15.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.561 HD13 ' HB3' ' A' ' 106' ' ' GLU . 65.6 mt -61.89 -65.35 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.521 ' HB2' HD12 ' A' ' 160' ' ' ILE . . . -43.08 -21.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.16 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' ILE . 3.5 tppp? -91.74 -50.63 5.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.061 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.487 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 7.9 ptmt -58.32 -13.89 6.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.827 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.45 ' CE2' HG23 ' A' ' 64' ' ' ILE . 46.2 m-85 -107.61 163.99 12.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.93 176.29 5.2 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.754 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -114.84 104.56 12.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.096 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.626 ' O ' HG23 ' A' ' 156' ' ' ILE . 10.3 t-80 -93.64 173.01 7.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -106.98 109.99 22.02 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 20.7 m -110.12 172.06 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.311 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.507 ' OD1' ' N ' ' A' ' 75' ' ' VAL . 2.0 t-20 -120.73 165.34 15.24 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.916 0.389 . . . . 0.0 110.838 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.507 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 1.8 p -129.61 109.3 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.104 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.405 ' C ' ' HD3' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -156.89 146.14 20.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.889 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.74 145.56 14.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.374 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.8 mt -138.77 130.23 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.911 0.386 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.418 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -113.38 164.52 12.04 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.385 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.67 177.35 7.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 120.678 0.275 . . . . 0.0 111.242 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.576 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 10.6 m-85 -162.22 147.49 10.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.791 0.805 . . . . 0.0 110.763 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 52.5 Cg_endo -69.91 -29.65 5.63 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.797 -1.751 . . . . 0.0 112.207 0.213 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.57 160.18 30.89 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.597 0.713 . . . . 0.0 110.861 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -47.67 -61.93 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.85 2.367 . . . . 0.0 112.365 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -38.94 -36.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -134.72 89.26 2.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 78.0 t -82.14 133.38 29.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -127.79 -35.13 2.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 76.2 t -135.48 116.51 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.672 ' CD1' HD13 ' A' ' 31' ' ' ILE . 71.9 mt -87.15 127.71 40.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.576 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 41.5 p-90 -142.78 145.87 33.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.985 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.41 165.01 12.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.038 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.96 155.25 17.84 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.592 -0.814 . . . . 0.0 112.601 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 71.3 t -110.63 148.39 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.703 0.287 . . . . 0.0 111.057 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.518 ' O ' ' C ' ' A' ' 96' ' ' ASN . 34.3 mm-40 -71.01 -176.39 1.37 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.004 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.518 ' C ' ' O ' ' A' ' 95' ' ' GLU . 10.4 p-10 -27.73 113.42 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -129.99 38.15 3.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -49.54 -47.76 48.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.478 HD13 ' HE2' ' A' ' 102' ' ' LYS . 18.7 mm -58.15 -51.39 71.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.265 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 100' ' ' ILE . 53.7 mt -64.45 -12.79 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.151 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.452 ' HG3' ' CD1' ' A' ' 122' ' ' PHE . 14.9 ttmt -85.61 -62.45 1.52 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.478 ' HE2' HD13 ' A' ' 99' ' ' ILE . 9.1 pttt -50.78 -26.26 5.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.964 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.429 HG12 ' CG ' ' A' ' 68' ' ' TYR . 91.6 mt -78.07 -51.31 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.993 0.425 . . . . 0.0 111.24 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.53 -38.13 43.02 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.268 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -65.84 -42.36 90.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.561 ' HB3' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -61.7 -53.54 54.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.77 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 59.2 mt -48.8 -35.1 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.037 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 110' ' ' GLU . 4.2 t0 -79.99 -56.62 4.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.901 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 108' ' ' ASP . 5.7 t70 -34.14 -35.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.739 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 108' ' ' ASP . 59.6 mm-40 -83.19 -51.63 7.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.73 HD23 HD12 ' A' ' 114' ' ' LEU . 59.2 mt -52.58 -44.04 65.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 111' ' ' LEU . . . -36.37 -39.73 0.2 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 113' ' ' LYS . 8.6 tmtt? -66.73 -43.42 84.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.73 HD12 HD23 ' A' ' 111' ' ' LEU . 23.3 mt -67.27 -28.34 67.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.732 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 120.99 65.32 0.25 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.379 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.504 ' CE1' HD22 ' A' ' 111' ' ' LEU . 81.3 m-85 -137.25 154.74 50.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.839 0.352 . . . . 0.0 111.042 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -82.37 136.15 35.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -109.69 129.65 55.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -99.54 123.12 43.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.933 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.14 -67.52 2.08 Favored Glycine 0 C--N 1.329 0.177 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.393 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -87.2 133.36 33.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.452 ' CD1' ' HG3' ' A' ' 101' ' ' LYS . 2.0 t80 -99.51 133.12 44.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 5.2 t -127.79 120.24 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.243 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.79 98.69 11.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.127 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.489 ' C ' HD12 ' A' ' 126' ' ' ILE . 4.1 p-80 -135.23 164.64 27.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 126' ' ' ILE . 3.7 mp -135.89 107.41 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 90.6 m -61.26 116.66 4.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.29 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 48.8 mt -81.08 -36.34 30.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.026 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 173.09 -177.88 45.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.513 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -118.17 144.28 45.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.948 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.715 HG22 HG12 ' A' ' 31' ' ' ILE . 94.8 t -91.35 127.33 43.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.226 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -90.69 -58.33 2.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.583 ' CZ ' ' HG3' ' A' ' 30' ' ' LYS . 36.8 p90 -164.38 133.74 3.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.792 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.657 HG11 HD21 ' A' ' 140' ' ' LEU . 2.0 p -129.02 154.16 39.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.415 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 18.9 tptp -107.75 -42.84 4.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.991 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -77.44 105.34 8.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -69.83 -62.02 1.55 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 32.1 mt -44.72 -48.2 10.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.97 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -46.43 -42.97 14.18 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.332 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.657 HD21 HG11 ' A' ' 134' ' ' VAL . 93.9 mt -48.37 -60.77 2.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.784 0.326 . . . . 0.0 110.868 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -68.27 -53.24 25.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.049 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 8.1 mmt -41.99 -40.7 2.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.788 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.43 ' HA ' ' CD ' ' A' ' 146' ' ' GLU . 13.8 ttmt -71.02 -38.92 72.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.539 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 62.7 mt -56.44 -40.18 74.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -64.64 -62.05 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.763 ' HG3' HD13 ' A' ' 147' ' ' LEU . 5.8 pt-20 -52.34 -31.41 33.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.002 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.763 HD13 ' HG3' ' A' ' 146' ' ' GLU . 10.3 mp -108.33 37.83 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 144' ' ' LEU . . . -105.6 -38.84 6.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.112 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -105.38 -21.45 13.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.719 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -39.97 106.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.786 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -70.42 154.55 41.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.753 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.425 ' HB2' HG13 ' A' ' 75' ' ' VAL . 40.9 m-85 -117.25 -29.44 5.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.867 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 131.68 -163.62 23.71 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.327 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 18.3 p -144.22 168.2 20.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.052 0.453 . . . . 0.0 110.883 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -169.08 159.65 9.32 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.012 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.626 HG23 ' O ' ' A' ' 71' ' ' HIS . 60.2 mt -107.28 131.94 56.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.107 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 63.0 t -73.11 100.04 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.049 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.628 ' HB3' HD12 ' A' ' 182' ' ' LEU . 27.8 mt-10 -99.63 -71.48 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.405 ' CB ' ' HA ' ' A' ' 181' ' ' GLU . . . -99.18 155.17 17.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.03 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' ILE . . . . . 0.521 HD12 ' HB2' ' A' ' 65' ' ' ALA . 97.3 mt -116.09 146.44 20.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.067 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -128.28 139.9 52.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.146 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 4' ' ' PHE . 12.1 tp -121.91 123.04 40.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.926 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -123.26 162.15 23.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.534 ' HB3' HD11 ' A' ' 177' ' ' LEU . 7.7 pttp -125.13 149.01 48.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 40.8 t -117.89 132.53 56.41 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 96.8 m -142.71 105.97 4.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 15.5 mt -75.87 132.75 40.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.033 0.444 . . . . 0.0 110.777 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 76.7 p -135.1 155.4 79.06 Favored Pre-proline 0 N--CA 1.453 -0.286 0 CA-C-O 121.419 0.628 . . . . 0.0 111.318 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.98 -32.1 17.3 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.752 2.301 . . . . 0.0 112.205 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -80.22 -26.52 39.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 151.16 173.67 21.32 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.47 -0.871 . . . . 0.0 112.447 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.59 130.66 19.95 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.559 2.173 . . . . 0.0 112.497 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 39.0 mm -102.83 129.51 54.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.986 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -131.54 107.32 8.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.021 0.439 . . . . 0.0 110.971 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -134.68 150.23 50.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.667 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 29.5 m -77.51 151.32 34.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' A' ' 164' ' ' LYS . 26.1 mt -115.6 -41.5 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.711 ' HB2' ' HE2' ' A' ' 58' ' ' LYS . . . -160.16 145.45 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.998 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 179' ' ' ARG . . . . . 0.434 ' HD3' ' N ' ' A' ' 179' ' ' ARG . 0.0 OUTLIER -141.91 134.71 28.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -116.07 99.17 7.06 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 181' ' ' GLU . . . . . 0.405 ' HA ' ' CB ' ' A' ' 159' ' ' ALA . 14.1 tt0 -99.67 117.91 35.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.628 HD12 ' HB3' ' A' ' 158' ' ' GLU . 28.2 mt -52.18 -57.43 9.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.911 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 1.1 t -174.87 178.22 1.87 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.761 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -113.37 150.96 31.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.696 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 185' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 186' ' ' HIS . 34.8 m80 -93.32 111.55 23.23 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.009 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 186' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 185' ' ' HIS . 24.3 t-80 -35.84 -53.61 0.74 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 -79.58 80.89 5.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.704 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -101.87 149.71 23.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.935 0.398 . . . . 0.0 110.691 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -106.39 159.29 16.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.926 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.49 ' CG ' ' O ' ' A' ' 1' ' ' MET . 8.0 ttt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.05 0.452 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.3 mtt85 -63.99 91.3 0.07 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.867 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -88.63 153.46 21.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.25 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -168.03 146.07 4.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.8 pt -97.65 154.6 3.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.661 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -148.45 160.48 43.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.997 HG21 HG22 ' A' ' 157' ' ' VAL . 75.8 mt -104.69 106.08 19.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.046 0.45 . . . . 0.0 111.052 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -35.45 139.75 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.467 HG23 ' HG3' ' A' ' 14' ' ' ARG . 2.7 m -122.32 88.79 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -43.68 161.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' HA ' ' NH1' ' A' ' 14' ' ' ARG . 11.7 pt-20 -44.27 -35.34 2.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.5 t -43.09 -37.0 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.432 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 86.0 t -98.03 -60.28 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.346 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.584 ' O ' HG23 ' A' ' 18' ' ' VAL . 9.3 mtm105 -41.08 -56.03 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -53.96 -33.52 57.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -68.36 -60.19 2.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.1 mt -51.15 -43.26 61.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 14' ' ' ARG . 94.9 t -60.25 -41.89 88.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.965 0.412 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -50.46 -43.03 55.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.43 -48.46 72.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.944 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.787 ' HA ' HD12 ' A' ' 24' ' ' ILE . 22.2 mt-30 -48.37 -58.51 4.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.99 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -42.45 -42.07 3.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -70.41 -49.37 49.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.787 HD12 ' HA ' ' A' ' 21' ' ' GLN . 77.6 mt -41.46 -52.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.51 129.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.353 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.6 p -104.87 51.72 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.008 0.432 . . . . 0.0 110.927 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -102.17 -36.41 8.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.472 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 30.3 mm-40 -95.92 -57.67 2.3 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.776 0.322 . . . . 0.0 110.817 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.407 ' CB ' ' HB ' ' A' ' 134' ' ' VAL . . . -97.32 133.69 41.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.019 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -81.43 111.76 18.07 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.004 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.519 HG12 HG22 ' A' ' 131' ' ' VAL . 9.9 mt -133.91 125.46 48.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.237 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -91.51 85.07 5.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.026 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.51 ' CD1' ' OE1' ' A' ' 21' ' ' GLN . 19.8 m-85 -56.76 173.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.8 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.6 t -118.27 153.1 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.077 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -46.05 170.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -80.04 -41.06 26.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.044 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -83.15 18.85 1.58 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.655 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -124.52 15.11 8.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.793 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -96.64 9.23 42.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.661 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 5.2 p-80 -57.41 128.91 39.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.951 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.6 mt -60.18 115.33 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.245 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.5 m -69.2 89.34 0.45 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.234 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.454 ' O ' ' CE1' ' A' ' 122' ' ' PHE . 5.5 tt -49.52 -54.18 19.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.793 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.455 ' HD2' ' CD2' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -152.92 152.43 31.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -99.96 148.58 24.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.455 ' CD2' ' HD2' ' A' ' 44' ' ' LYS . 14.7 mt -116.45 -60.17 1.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.74 -138.02 13.65 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -73.87 130.45 39.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 111.02 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.867 HD12 ' HB3' ' A' ' 3' ' ' ALA . 25.2 mt -139.79 148.52 22.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.956 0.408 . . . . 0.0 111.253 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.0 p -96.97 142.8 28.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.97 0.414 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -41.72 -38.76 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.764 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -62.28 -46.43 88.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -72.24 -31.43 65.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.684 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -39.82 -33.28 0.19 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -78.84 -37.17 41.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.665 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 53' ' ' GLN . 4.7 mm-40 -59.95 -47.71 84.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.019 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 57' ' ' ILE . 1.5 mp -52.71 -51.6 34.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.091 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.568 ' HE2' ' HB2' ' A' ' 178' ' ' ALA . 5.1 mtpm? -59.09 -48.88 79.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -53.82 -55.17 28.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.764 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.9 mt -48.05 -53.12 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.995 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.0 mt -53.35 -50.14 65.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -44.04 -45.03 7.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.054 0.454 . . . . 0.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -68.83 -52.31 31.31 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.952 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.521 HG21 HG23 ' A' ' 103' ' ' ILE . 81.4 mt -59.14 -65.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.155 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -42.98 -28.27 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.192 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -87.03 -35.23 18.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.552 ' HD2' ' CE2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -72.01 -16.13 62.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.808 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.562 ' CD2' HG12 ' A' ' 103' ' ' ILE . 49.1 m-85 -109.01 171.16 7.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.064 0.459 . . . . 0.0 110.833 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -118.91 173.95 6.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.447 ' HB2' ' CG2' ' A' ' 156' ' ' ILE . 10.2 ptpp? -98.24 111.15 23.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.856 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.411 ' O ' HG23 ' A' ' 156' ' ' ILE . 52.2 t60 -99.54 169.28 9.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.009 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -105.13 99.28 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.173 0.511 . . . . 0.0 110.749 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.6 m -100.42 161.84 3.33 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.906 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -115.33 156.89 24.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.825 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.479 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.6 p -123.79 112.59 33.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.184 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.468 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 14.1 ttt180 -162.33 148.52 13.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.845 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.468 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 95.65 140.73 11.18 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.393 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.533 HG23 ' O ' ' A' ' 91' ' ' TRP . 20.1 mt -140.04 126.0 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 111.061 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.09 172.82 18.44 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.577 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.5 m -138.48 163.62 28.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.891 0.377 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.7 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 11.6 m-85 -145.7 154.65 52.24 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.681 0.753 . . . . 0.0 110.703 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 53.9 Cg_endo -69.68 -17.26 11.91 Favored 'Cis proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.748 -1.772 . . . . 0.0 112.407 0.026 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -171.27 161.09 5.27 Favored Pre-proline 0 C--O 1.233 0.201 0 CA-C-O 121.503 0.668 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -48.28 -58.24 1.87 Allowed 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.751 2.301 . . . . 0.0 112.176 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -39.65 -40.04 0.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -134.33 94.72 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.1 t -85.24 127.2 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.222 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -124.27 -33.73 3.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.725 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 74.3 t -135.89 122.67 33.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.214 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 66.8 mt -93.46 135.61 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.7 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 37.1 p-90 -152.62 144.75 23.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.017 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.58 169.66 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.76 151.86 17.41 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 76.1 t -104.88 144.16 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.772 0.32 . . . . 0.0 111.241 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 96' ' ' ASN . 40.2 mm-40 -72.7 -176.56 2.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.042 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.495 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -30.38 100.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.41 ' HB2' HD12 ' A' ' 100' ' ' ILE . 10.7 p-10 -119.63 42.36 2.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.9 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -45.34 -57.11 4.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.9 mm -48.51 -59.82 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.14 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.41 HD12 ' HB2' ' A' ' 97' ' ' ASP . 33.7 mt -44.03 -51.51 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -50.7 -54.5 22.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.949 0.404 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -50.6 -53.69 28.67 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.619 HG22 ' CD1' ' A' ' 107' ' ' ILE . 64.4 mt -59.65 -39.13 78.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.79 -33.74 72.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.209 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -80.58 -37.5 31.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -67.3 -43.0 82.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.619 ' CD1' HG22 ' A' ' 103' ' ' ILE . 63.5 mt -61.56 -48.85 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.188 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 109' ' ' ASP . 12.3 t0 -70.41 -55.03 10.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.745 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 108' ' ' ASP . 0.1 OUTLIER -36.55 -48.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.973 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -67.43 -49.5 63.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.822 HD23 HD12 ' A' ' 114' ' ' LEU . 33.4 mt -58.11 -26.67 62.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.58 -22.32 3.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.057 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -83.74 -41.19 17.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.822 HD12 HD23 ' A' ' 111' ' ' LEU . 66.5 mt -67.92 -24.14 65.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.858 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 121.18 63.3 0.24 Allowed Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.312 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -138.9 146.61 41.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.929 0.395 . . . . 0.0 110.853 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -67.71 148.78 50.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -113.79 123.3 49.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.999 0.428 . . . . 0.0 110.733 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -99.55 112.44 24.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -54.08 -71.4 0.71 Allowed Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.593 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -90.72 116.22 28.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.833 0.349 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.454 ' CE1' ' O ' ' A' ' 43' ' ' LEU . 40.4 t80 -98.04 147.4 24.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.014 0.435 . . . . 0.0 110.813 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 58.0 t -135.37 128.47 48.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.129 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -85.47 102.96 13.92 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -139.76 163.68 31.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.031 0.443 . . . . 0.0 110.801 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.581 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.6 mp -137.25 109.52 7.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.349 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 91.2 m -66.65 116.42 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.247 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.6 mt -80.7 -34.41 34.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 174.99 -176.5 47.14 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.413 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 48.8 mtt85 -122.02 146.59 47.02 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 110.769 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.519 HG22 HG12 ' A' ' 31' ' ' ILE . 68.7 t -97.47 125.03 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -93.71 -57.89 2.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -157.34 137.31 12.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.737 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' A' ' 135' ' ' LYS . 1.5 p -133.47 154.36 38.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.067 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.443 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 2.5 mptm? -104.75 -36.83 7.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.056 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -90.12 117.91 29.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.029 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -83.03 -68.23 0.72 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.899 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 31.4 mt -38.29 -56.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -39.36 -42.4 1.8 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.448 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 92.0 mt -46.76 -58.68 3.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.642 0.258 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -71.87 -59.18 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.253 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 13.6 mmt -40.93 -38.07 0.9 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.143 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -72.45 -58.37 3.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 50.7 mt -47.52 -38.1 13.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -51.93 -38.61 57.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.748 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -73.88 -41.65 61.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.646 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 147' ' ' LEU . 1.9 mp -85.89 8.29 20.81 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.987 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -87.06 -23.4 24.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -121.0 -19.61 7.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -53.11 104.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -65.21 157.17 29.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.668 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.479 ' HB2' HG13 ' A' ' 75' ' ' VAL . 43.5 m-85 -117.49 -32.0 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 134.24 -155.59 21.95 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.6 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 32.7 p -147.02 173.28 12.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.774 0.321 . . . . 0.0 111.003 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -173.8 170.37 3.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.137 0.494 . . . . 0.0 110.616 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.447 ' CG2' ' HB2' ' A' ' 70' ' ' LYS . 58.0 mt -121.25 136.72 57.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.047 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.997 HG22 HG21 ' A' ' 7' ' ' ILE . 53.4 t -83.11 101.81 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.415 ' HB3' HD12 ' A' ' 182' ' ' LEU . 17.0 mp0 -97.73 -70.26 0.73 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.183 0.516 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.901 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -99.0 179.35 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.058 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 161' ' ' GLU . 66.2 mt -134.4 155.25 38.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.191 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.47 ' N ' HG22 ' A' ' 160' ' ' ILE . 27.9 tt0 -131.13 138.37 49.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 11.1 tp -120.23 124.9 46.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.787 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -125.01 173.21 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.726 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.633 ' HE2' HD21 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -123.57 171.33 9.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.033 179.757 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 39.2 t -144.78 121.69 11.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 88.8 m -137.08 105.04 5.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 12.2 mt -74.78 139.47 43.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 10.9 p -143.25 155.88 61.31 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.631 0.729 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -47.76 -35.52 23.94 Favored 'Trans proline' 0 CA--C 1.527 0.126 0 C-N-CA 122.685 2.256 . . . . 0.0 112.295 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -79.87 -21.94 43.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 145.44 172.82 16.14 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.38 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' PRO . . . . . 0.456 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 53.1 Cg_endo -69.7 144.13 53.35 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.855 2.37 . . . . 0.0 112.252 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 27.4 mm -116.69 123.03 71.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -118.84 126.25 51.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.828 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -147.64 147.69 30.28 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.716 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.415 HG21 ' HG3' ' A' ' 179' ' ' ARG . 9.1 m -80.53 142.64 33.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.022 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.633 HD21 ' HE2' ' A' ' 164' ' ' LYS . 19.1 mt -109.62 -36.3 5.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.927 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.568 ' HB2' ' HE2' ' A' ' 58' ' ' LYS . . . -155.59 144.85 20.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.034 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 179' ' ' ARG . . . . . 0.415 ' HG3' HG21 ' A' ' 176' ' ' THR . 72.6 mtm180 -137.26 111.84 8.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.761 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.901 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 55.3 m-85 -100.7 97.86 8.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.793 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -100.41 116.19 31.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.415 HD12 ' HB3' ' A' ' 158' ' ' GLU . 80.1 mt -60.12 -53.55 56.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.005 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 6.4 t -56.34 168.63 0.51 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -111.51 -16.53 13.27 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.734 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -134.73 177.15 8.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.917 0.389 . . . . 0.0 110.708 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -173.11 141.2 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.821 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.434 ' CG ' ' O ' ' A' ' 187' ' ' HIS . 17.8 t-80 60.69 43.27 12.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.946 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.55 174.81 2.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.782 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -82.52 173.04 12.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.773 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.807 179.892 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 tpt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.792 0.33 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -79.21 64.46 4.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.548 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -63.58 143.95 57.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 163' ' ' LYS . 20.7 p90 -156.39 127.45 6.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.99 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.826 HD11 ' HB3' ' A' ' 44' ' ' LYS . 45.4 pt -85.16 142.74 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.08 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.738 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -142.96 162.04 36.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.225 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.74 HG21 HG22 ' A' ' 157' ' ' VAL . 63.8 mt -107.51 124.75 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.028 0.442 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.05 138.92 24.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.891 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.588 HG23 ' HG3' ' A' ' 14' ' ' ARG . 2.8 m -116.05 90.03 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.091 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 9' ' ' VAL . 37.1 t -37.66 156.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.961 0.41 . . . . 0.0 110.734 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -47.76 -26.13 1.49 Allowed 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.788 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.7 p -56.44 -35.64 68.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 37.2 t -94.18 -46.85 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.168 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.588 ' HG3' HG23 ' A' ' 9' ' ' VAL . 53.2 mtt180 -52.19 -53.79 38.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.759 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -64.96 -23.49 67.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.48 -58.2 3.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.13 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.8 mt -58.38 -46.27 86.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.805 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 14' ' ' ARG . 74.2 t -57.88 -40.8 77.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.082 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -51.08 -45.73 61.55 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.793 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.73 -44.06 97.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.279 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.536 ' OE1' ' CD1' ' A' ' 33' ' ' PHE . 23.3 mt-30 -53.05 -55.12 26.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.806 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -44.43 -38.91 4.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -77.21 -36.08 55.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.687 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 21' ' ' GLN . 96.5 mt -60.93 -60.18 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.85 166.28 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.383 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.8 m -119.84 50.83 1.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.981 0.42 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -54.78 -69.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.033 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -94.51 -34.69 12.59 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.799 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.51 162.62 18.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.5 ' HG2' ' CE2' ' A' ' 133' ' ' PHE . 57.3 tptt -124.42 93.14 3.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.8 mt -110.67 154.05 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.237 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -113.98 86.67 2.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.976 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.536 ' CD1' ' OE1' ' A' ' 21' ' ' GLN . 20.3 m-85 -58.34 167.41 1.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.097 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 35' ' ' GLU . 30.0 t -116.03 154.91 17.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.847 0.356 . . . . 0.0 111.17 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.422 ' N ' HG12 ' A' ' 34' ' ' VAL . 5.7 mm-40 -47.97 170.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -81.24 -43.22 19.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.813 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.24 13.81 1.74 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.053 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -118.32 8.62 12.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.451 ' O ' HG21 ' A' ' 126' ' ' ILE . 18.2 m-85 -91.95 9.81 31.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.135 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.738 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 1.4 p-80 -58.33 135.19 57.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.716 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 72.6 mt -68.07 107.09 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.984 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 m -58.52 88.08 0.01 OUTLIER 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.245 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.664 ' O ' HD23 ' A' ' 43' ' ' LEU . 3.9 tt -50.09 -41.24 47.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.954 0.407 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.826 ' HB3' HD11 ' A' ' 5' ' ' ILE . 26.6 tttm -167.62 145.34 4.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.816 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.446 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 36.6 t80 -98.9 133.67 42.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.97 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.467 ' HB3' HD11 ' A' ' 49' ' ' ILE . 64.4 mt -100.1 -63.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.029 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.08 -127.55 8.98 Favored Glycine 0 N--CA 1.454 -0.135 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.53 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -82.42 133.8 35.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.872 0.368 . . . . 0.0 111.074 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.604 HG22 ' N ' ' A' ' 50' ' ' THR . 51.0 mt -145.1 164.95 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.604 ' N ' HG22 ' A' ' 49' ' ' ILE . 55.1 p -104.75 132.24 51.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.867 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' THR . 16.1 tt0 -37.39 -30.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 50' ' ' THR . 5.6 mm-40 -75.01 -59.78 2.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 56' ' ' GLU . 34.5 mt-30 -55.05 -31.8 61.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -41.12 -51.2 3.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.004 0.431 . . . . 0.0 111.423 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -55.52 -33.29 63.64 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 53' ' ' GLN . 4.8 tp10 -62.37 -56.29 19.77 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.012 0.434 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.587 ' H ' HD12 ' A' ' 57' ' ' ILE . 2.7 mp -40.13 -43.18 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.125 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.495 ' HE3' ' N ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -62.46 -65.43 0.69 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.842 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -37.83 -45.23 0.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.019 0.438 . . . . 0.0 110.936 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 89.9 mt -60.05 -51.5 72.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.119 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.6 -37.61 79.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -56.83 -35.47 68.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.07 -58.79 2.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.689 HG21 HG23 ' A' ' 103' ' ' ILE . 48.8 mt -47.14 -61.08 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.084 0.469 . . . . 0.0 111.062 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.55 -17.88 0.36 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -102.26 -23.76 13.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.021 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.486 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 7.8 ptmt -81.16 -6.66 59.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.537 ' CD2' HG12 ' A' ' 103' ' ' ILE . 42.5 m-85 -114.45 163.24 15.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.016 0.436 . . . . 0.0 110.951 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 tppt? -98.47 150.66 21.43 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -77.81 98.64 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.735 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -97.34 155.52 16.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.004 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -105.74 115.41 30.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.6 m -111.15 165.1 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 75' ' ' VAL . 16.4 t-20 -116.22 155.52 28.17 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.847 HG13 ' HB2' ' A' ' 152' ' ' PHE . 3.8 p -119.26 105.29 17.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.231 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.495 ' NH2' ' CG ' ' A' ' 151' ' ' ASP . 16.1 ttm105 -150.94 146.78 26.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.043 0.449 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.74 147.55 22.69 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.4 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.547 HG23 ' O ' ' A' ' 91' ' ' TRP . 26.9 mt -138.58 134.53 43.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 120.865 0.365 . . . . 0.0 111.005 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.491 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -113.14 152.03 18.11 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.392 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.7 m -122.06 176.11 4.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.897 0.38 . . . . 0.0 111.18 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.744 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 11.5 m-85 -160.73 151.76 15.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.493 0.663 . . . . 0.0 110.769 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.4 Cg_endo -69.43 -21.22 10.03 Favored 'Cis proline' 0 C--O 1.233 0.227 0 C-N-CA 122.634 -1.819 . . . . 0.0 112.483 -0.323 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.45 ' CG ' ' C ' ' A' ' 82' ' ' PRO . 0.4 OUTLIER -164.39 160.63 16.09 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.594 0.712 . . . . 0.0 110.97 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -47.91 -60.03 1.03 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.658 2.239 . . . . 0.0 112.429 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -41.48 -37.38 1.06 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -133.33 97.0 3.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.141 0.496 . . . . 0.0 110.844 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.5 t -89.05 129.44 40.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.344 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -124.6 -34.82 2.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.693 HG22 ' HG3' ' A' ' 130' ' ' ARG . 85.1 t -134.82 116.66 21.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.071 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 69.8 mt -88.45 129.5 39.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.007 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.744 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 26.6 p-90 -145.59 144.04 30.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.945 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.14 161.98 15.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.07 143.77 15.03 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.445 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.416 ' CG1' ' OD2' ' A' ' 97' ' ' ASP . 88.6 t -102.35 151.05 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.956 0.408 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.487 ' O ' ' C ' ' A' ' 96' ' ' ASN . 4.3 mm-40 -71.27 -176.55 1.5 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.763 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.487 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.1 t30 -31.14 113.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.84 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.416 ' OD2' ' CG1' ' A' ' 94' ' ' VAL . 63.4 m-20 -121.22 30.9 6.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.705 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 97' ' ' ASP . 5.0 tp10 -35.8 -60.62 0.52 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 100' ' ' ILE . 10.7 mm -48.52 -71.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.071 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 99' ' ' ILE . 71.8 mt -33.95 -61.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.17 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -39.84 -48.75 2.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.066 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -54.35 -52.78 60.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.768 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.689 HG23 HG21 ' A' ' 64' ' ' ILE . 83.9 mt -58.91 -45.16 91.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.078 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.15 -31.57 63.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.14 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -85.11 -39.25 18.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.818 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.98 -43.17 99.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.82 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.518 HD11 HG22 ' A' ' 103' ' ' ILE . 63.3 mt -59.03 -45.64 92.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.017 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -71.45 -43.05 67.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -47.02 -32.84 4.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -86.84 -44.22 11.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.939 HD23 HD12 ' A' ' 114' ' ' LEU . 48.9 mt -60.89 -28.11 68.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.38 -33.41 5.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.239 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 113' ' ' LYS . 0.7 OUTLIER -79.24 -36.97 39.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.763 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.939 HD12 HD23 ' A' ' 111' ' ' LEU . 23.1 mt -70.43 -16.8 62.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.888 0.375 . . . . 0.0 111.018 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 115.59 54.98 0.36 Allowed Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.511 ' CG ' ' HB3' ' A' ' 111' ' ' LEU . 40.1 m-85 -136.5 171.48 14.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.027 0.442 . . . . 0.0 110.876 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -127.13 141.11 51.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -106.96 150.03 26.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.886 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 120' ' ' GLY . 6.5 tt0 -99.61 122.94 43.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.852 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 119' ' ' GLU . . . -38.36 -70.48 0.29 Allowed Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.353 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -99.29 128.23 45.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.095 0.474 . . . . 0.0 111.092 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -100.12 141.75 32.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 11.2 t -125.82 124.46 66.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.031 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.12 96.05 10.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -137.82 167.88 20.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.615 ' N ' HD12 ' A' ' 126' ' ' ILE . 1.3 mp -137.23 104.81 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.262 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 90.3 m -59.66 122.99 15.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.044 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 77.5 mt -88.48 -28.24 20.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 168.36 -175.94 42.9 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.386 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.693 ' HG3' HG22 ' A' ' 89' ' ' VAL . 1.6 mpp_? -125.6 145.22 50.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.987 0.422 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.9 t -92.73 122.01 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.072 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -91.69 -54.79 3.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.801 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.5 ' CE2' ' HG2' ' A' ' 30' ' ' LYS . 26.6 p90 -157.01 129.65 7.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.511 HG21 HD21 ' A' ' 140' ' ' LEU . 1.9 p -131.69 154.02 39.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.188 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.424 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 29.9 tptt -114.82 -40.31 3.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -79.45 88.02 5.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -61.74 -60.73 3.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.78 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 32.3 mt -44.98 -49.21 11.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.858 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -46.76 -45.13 18.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.657 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.511 HD21 HG21 ' A' ' 134' ' ' VAL . 84.4 mt -47.35 -63.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.63 -60.01 3.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.035 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.7 mmt -39.86 -35.8 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.781 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -71.56 -53.46 13.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.809 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 77.3 mt -40.67 -62.22 0.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.878 0.37 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -39.11 -41.29 0.8 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.973 0.416 . . . . 0.0 111.058 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -67.97 -45.72 73.38 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 4.8 mp -101.05 35.49 2.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -97.57 -35.85 10.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.224 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 150' ' ' GLU . 62.4 m-80 -110.69 -23.96 10.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.847 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 149' ' ' ASN . 6.7 tp10 -35.55 115.4 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ASP . . . . . 0.495 ' CG ' ' NH2' ' A' ' 76' ' ' ARG . 27.8 t70 -76.19 155.43 34.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.847 ' HB2' HG13 ' A' ' 75' ' ' VAL . 87.0 m-85 -117.23 -40.02 3.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.067 0.46 . . . . 0.0 110.973 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLY . . . . . 0.542 ' O ' HG12 ' A' ' 75' ' ' VAL . . . 139.78 -172.49 23.33 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.579 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 p -138.03 164.61 28.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.637 0.256 . . . . 0.0 110.851 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -169.77 178.84 3.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.674 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 87.3 mt -120.58 137.52 54.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.049 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.74 HG22 HG21 ' A' ' 7' ' ' ILE . 72.0 t -86.01 91.16 3.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -97.78 -70.71 0.71 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -85.93 143.54 28.14 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 97.3 mt -115.16 150.38 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.938 0.399 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.444 ' CG ' ' HG3' ' A' ' 179' ' ' ARG . 3.2 mt-10 -132.9 138.59 47.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.987 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.5 HD12 ' O ' ' A' ' 4' ' ' PHE . 14.7 tp -119.75 115.15 23.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.022 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -113.71 140.98 47.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.57 ' CE ' HD21 ' A' ' 177' ' ' LEU . 10.1 pttt -113.04 148.94 34.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.015 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 10.4 p -119.47 135.7 54.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.928 0.394 . . . . 0.0 110.946 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 26.2 m -144.43 105.21 4.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.338 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 12.0 mt -73.55 132.53 42.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.937 0.399 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 71.0 p -133.48 155.25 80.85 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.668 0.747 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -47.69 -31.99 15.64 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.788 2.326 . . . . 0.0 112.231 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -80.2 -31.42 38.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.929 0.395 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 155.96 176.12 27.73 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.582 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.88 141.64 45.27 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 34.1 mm -118.49 115.29 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -118.56 102.7 9.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.762 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 176' ' ' THR . 4.1 tp10 -131.49 155.25 47.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.135 0.493 . . . . 0.0 110.723 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.445 ' N ' ' HG3' ' A' ' 175' ' ' GLU . 6.2 m -87.07 140.55 29.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.15 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.57 HD21 ' CE ' ' A' ' 164' ' ' LYS . 78.2 mt -103.23 -43.2 5.52 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.719 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -138.53 142.51 39.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.114 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' ARG . . . . . 0.444 ' HG3' ' CG ' ' A' ' 161' ' ' GLU . 39.8 ttp180 -141.07 107.27 5.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.763 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.421 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 25.8 m-85 -99.82 97.74 8.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.829 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -99.24 129.41 45.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 14.2 mt -103.98 -57.76 1.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.817 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 45.4 t -69.86 155.28 40.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.735 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -92.67 35.64 1.03 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.025 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 8.8 m170 60.53 39.76 17.71 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.81 167.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -117.29 157.85 25.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 8.6 m170 52.64 42.4 31.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -88.14 134.61 33.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.771 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.792 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.722 0.296 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 34.5 ttm-85 -88.96 76.21 7.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.698 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -82.85 151.67 25.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.075 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.506 ' O ' HD12 ' A' ' 162' ' ' LEU . 28.7 p90 -168.81 135.62 1.86 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.791 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.408 ' CG2' HD13 ' A' ' 162' ' ' LEU . 36.1 pt -85.04 147.42 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.504 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -140.1 163.22 33.29 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.148 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.76 HG21 HG22 ' A' ' 157' ' ' VAL . 55.0 mt -105.97 125.16 61.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.186 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.24 137.61 13.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.049 0.452 . . . . 0.0 110.677 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 10' ' ' SER . 2.8 m -117.15 85.87 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 9' ' ' VAL . 3.1 t -36.43 154.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.45 ' C ' ' OE1' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -42.39 -41.35 2.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.5 p -40.48 -41.67 1.47 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.736 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.489 HG21 ' CE1' ' A' ' 155' ' ' PHE . 76.2 t -85.22 -51.0 14.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.16 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.519 ' O ' HG23 ' A' ' 18' ' ' VAL . 98.3 mtt180 -47.91 -66.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.708 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -48.64 -39.58 24.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.74 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.94 -62.16 2.05 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 120.992 0.425 . . . . 0.0 111.194 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.9 mt -51.86 -42.75 62.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.994 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 14' ' ' ARG . 95.2 t -61.6 -40.59 87.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.203 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -52.4 -51.67 57.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.62 -52.01 63.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.117 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.507 ' HA ' HD12 ' A' ' 24' ' ' ILE . 16.7 mt-30 -45.53 -56.6 4.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -42.18 -43.68 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -72.82 -35.66 67.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.748 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' A' ' 21' ' ' GLN . 85.0 mt -61.57 -48.65 87.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.16 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.54 153.03 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.436 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.2 m -120.31 46.3 2.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.801 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.62 -55.61 3.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.439 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 2.0 pm0 -82.55 -44.09 16.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.018 0.437 . . . . 0.0 111.054 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.439 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -99.97 144.85 28.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.448 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 0.0 OUTLIER -96.56 87.29 4.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.734 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.691 HG12 HG22 ' A' ' 131' ' ' VAL . 45.5 mt -114.52 125.66 71.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -94.99 94.31 7.91 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.981 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.464 ' CD1' ' OE1' ' A' ' 21' ' ' GLN . 19.5 m-85 -59.63 176.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.578 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 21.2 t -120.18 149.58 22.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -43.07 160.22 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.444 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 61.8 mtt180 -71.46 -39.53 70.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -84.68 19.52 2.0 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.025 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -125.19 12.52 8.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 28.2 m-85 -93.72 7.36 45.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.01 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.504 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 5.7 p80 -56.95 126.53 27.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.933 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 70.1 mt -57.21 120.06 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.293 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.2 m -73.57 90.07 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -47.59 -62.3 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.533 ' HE2' HD12 ' A' ' 111' ' ' LEU . 34.5 tttp -142.93 149.03 37.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.459 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 51.9 t80 -96.2 136.41 36.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.062 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.765 ' HB3' HD11 ' A' ' 49' ' ' ILE . 15.2 mt -107.14 -57.67 2.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.828 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.51 -135.93 12.43 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.652 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -71.02 130.26 41.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.84 0.353 . . . . 0.0 111.082 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.765 HD11 ' HB3' ' A' ' 46' ' ' LEU . 17.9 mt -150.25 147.49 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 74.1 p -99.8 142.67 30.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -50.12 -28.99 8.13 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.744 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -70.31 -36.4 74.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -85.99 -28.84 23.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.15 -57.94 3.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.035 0.445 . . . . 0.0 111.203 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -44.35 -36.43 2.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.81 ' OE2' HD11 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -58.98 -63.19 1.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.878 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.747 ' H ' HD12 ' A' ' 57' ' ' ILE . 3.2 mp -37.32 -60.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.485 ' HE2' ' HB2' ' A' ' 178' ' ' ALA . 87.4 mttt -33.9 -69.67 0.09 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.066 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -42.64 -54.65 3.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.909 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.81 HD11 ' OE2' ' A' ' 56' ' ' GLU . 76.5 mt -43.89 -44.97 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.045 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.2 mt -71.13 -42.88 68.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.986 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -45.89 -57.25 4.5 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.452 ' NZ ' ' HB3' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -64.54 -45.88 85.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 66' ' ' LYS . 59.8 mt -58.73 -71.25 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -41.98 -24.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 64' ' ' ILE . 16.6 tppt? -82.04 -52.19 7.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -61.54 -12.32 14.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.007 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.531 ' CG ' HG12 ' A' ' 103' ' ' ILE . 52.2 m-85 -108.11 159.85 16.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.97 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.9 -178.39 3.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.049 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.7 pttm -118.51 112.76 20.33 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.859 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -96.79 174.46 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.981 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -108.22 100.65 9.94 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.8 m -103.32 171.08 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.433 ' HB3' ' CD ' ' A' ' 95' ' ' GLU . 9.3 t-20 -124.48 166.29 16.27 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.493 ' O ' HG22 ' A' ' 75' ' ' VAL . 1.4 p -125.74 92.56 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -139.92 133.65 30.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.48 142.33 9.58 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.447 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.3 mt -136.03 142.01 40.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.851 0.358 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.95 163.88 16.15 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.442 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.532 HG11 HD21 ' A' ' 144' ' ' LEU . 27.4 m -133.63 161.27 41.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.803 0.335 . . . . 0.0 111.23 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.692 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 13.1 m-85 -144.5 147.59 36.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.596 0.713 . . . . 0.0 110.801 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.1 Cg_endo -69.72 -35.28 2.75 Favored 'Cis proline' 0 C--N 1.34 0.101 0 C-N-CA 122.803 -1.749 . . . . 0.0 112.307 0.032 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -152.5 158.86 33.25 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.718 0.77 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.417 ' HA ' HG21 ' A' ' 80' ' ' VAL . 66.4 Cg_exo -47.92 -52.17 8.66 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.61 2.207 . . . . 0.0 112.306 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -43.12 -40.71 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.818 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -133.4 82.37 1.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.126 0.489 . . . . 0.0 110.931 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 82.9 t -74.88 128.97 37.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -122.28 -37.97 2.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.5 t -132.46 119.42 38.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.983 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 67.9 mt -87.19 129.22 39.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.331 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.692 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 40.4 p-90 -145.57 142.89 29.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.67 165.91 12.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -125.4 149.97 17.24 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.589 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 96.6 t -109.12 145.12 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.026 0.441 . . . . 0.0 110.884 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.521 ' O ' ' C ' ' A' ' 96' ' ' ASN . 3.9 pt-20 -71.93 -175.84 1.55 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.727 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.521 ' C ' ' O ' ' A' ' 95' ' ' GLU . 4.7 t-20 -27.58 103.48 0.02 OUTLIER 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.946 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -118.69 43.82 2.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.81 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -45.67 -66.18 0.44 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.778 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.405 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 41.0 mm -43.56 -65.25 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.15 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.6 mt -47.75 -30.37 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.244 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.5 ttpp -74.11 -65.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 99' ' ' ILE . 0.6 OUTLIER -44.42 -41.44 6.22 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.0 179.808 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.531 HG12 ' CG ' ' A' ' 68' ' ' TYR . 72.0 mt -65.28 -46.24 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.029 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.86 -41.75 64.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.989 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -68.79 -38.28 79.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -63.88 -46.72 83.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 41.2 mt -55.26 -38.69 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.428 ' OD2' ' NZ ' ' A' ' 44' ' ' LYS . 10.0 t0 -77.92 -34.73 51.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.935 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -47.46 -45.65 26.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.974 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -75.99 -51.83 11.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.049 0.452 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.732 HD23 HD12 ' A' ' 114' ' ' LEU . 25.0 mt -47.39 -41.49 20.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.04 -36.07 0.44 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.014 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -71.09 -37.95 72.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.732 HD12 HD23 ' A' ' 111' ' ' LEU . 39.4 mt -70.09 -28.12 65.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 119.27 56.64 0.26 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.428 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.441 ' CZ ' HD22 ' A' ' 111' ' ' LEU . 8.6 m-85 -122.93 168.09 12.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.974 0.416 . . . . 0.0 110.842 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -93.24 142.61 27.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -108.81 131.35 55.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.968 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -99.82 127.32 45.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -54.63 -69.02 1.38 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.533 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.14 139.54 33.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.794 0.33 . . . . 0.0 110.95 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.566 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 1.0 OUTLIER -98.98 138.49 36.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.003 179.777 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 18.2 t -132.26 122.01 47.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.218 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.25 99.91 11.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.094 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -135.2 164.9 26.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.98 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.603 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.5 mp -134.6 109.66 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.388 . . . . 0.0 111.122 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 88.0 m -66.95 113.88 5.32 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.018 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' ' 34' ' ' VAL . 65.4 mt -79.6 -36.82 37.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 174.08 169.03 35.79 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.466 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -108.05 152.71 24.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.795 0.331 . . . . 0.0 110.775 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.691 HG22 HG12 ' A' ' 31' ' ' ILE . 60.9 t -101.92 114.21 40.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.936 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -80.85 -54.56 5.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.803 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.448 ' CE2' ' HG3' ' A' ' 30' ' ' LYS . 7.0 p90 -161.31 138.9 9.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.501 HG22 ' N ' ' A' ' 135' ' ' LYS . 2.7 p -136.73 158.12 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.19 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.501 ' N ' HG22 ' A' ' 134' ' ' VAL . 31.9 mmtt -112.05 -45.44 3.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.822 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -71.46 112.33 7.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.044 0.45 . . . . 0.0 110.811 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -75.52 -58.67 3.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.077 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.437 ' C ' ' HG3' ' A' ' 142' ' ' MET . 25.0 mt -48.68 -54.54 14.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.704 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 138' ' ' LEU . . . -37.79 -39.36 0.6 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.627 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.416 HD21 HG11 ' A' ' 134' ' ' VAL . 58.7 mt -53.68 -50.83 64.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.485 ' HA ' HD12 ' A' ' 144' ' ' LEU . . . -81.06 -56.0 4.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.96 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.437 ' HG3' ' C ' ' A' ' 138' ' ' LEU . 2.1 mtt -39.99 -28.64 0.06 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.061 0.458 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 141' ' ' ALA . 6.8 ttmt -83.82 -53.78 5.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.993 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.532 HD21 HG11 ' A' ' 80' ' ' VAL . 46.6 mt -40.82 -47.59 2.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.987 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -41.17 69.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.671 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.448 ' C ' HD12 ' A' ' 147' ' ' LEU . 18.3 mm-40 -75.44 -31.71 60.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.448 HD12 ' C ' ' A' ' 146' ' ' GLU . 7.2 mp -112.56 32.72 5.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 144' ' ' LEU . . . -86.92 -46.27 10.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.31 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -134.03 27.98 3.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.763 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.597 ' OE2' ' CE2' ' A' ' 152' ' ' PHE . 0.0 OUTLIER -61.26 142.86 56.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -85.26 144.88 27.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.597 ' CE2' ' OE2' ' A' ' 150' ' ' GLU . 42.8 m-85 -125.89 -32.83 2.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLY . . . . . 0.411 ' O ' ' ND2' ' A' ' 74' ' ' ASN . . . 137.08 -173.55 22.13 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.548 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 32.1 p -138.44 166.16 24.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.789 0.328 . . . . 0.0 111.035 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' PHE . . . . . 0.489 ' CE1' HG21 ' A' ' 13' ' ' VAL . 53.8 p90 -166.25 166.29 16.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.767 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 92.3 mt -113.36 120.96 64.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.76 HG22 HG21 ' A' ' 7' ' ' ILE . 96.1 t -68.11 94.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.629 ' HB3' HD12 ' A' ' 182' ' ' LEU . 13.6 mt-10 -90.85 -72.67 0.56 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.108 0.48 . . . . 0.0 110.8 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.819 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -97.31 166.81 11.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 161' ' ' GLU . 97.1 mt -116.43 158.84 16.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.528 ' N ' HG22 ' A' ' 160' ' ' ILE . 0.7 OUTLIER -141.79 125.39 16.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.927 179.868 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.506 HD12 ' O ' ' A' ' 4' ' ' PHE . 17.8 tp -108.0 131.27 54.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.037 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -122.38 154.85 37.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.843 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -117.84 129.57 55.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.904 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 28.7 t -113.61 126.72 55.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.105 0.478 . . . . 0.0 110.772 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 79.8 m -134.23 105.29 6.56 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.179 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 10.1 mt -70.34 134.46 47.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 68.4 p -139.76 155.41 71.33 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.697 0.761 . . . . 0.0 111.089 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -48.24 -31.75 17.77 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.613 2.208 . . . . 0.0 112.447 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -27.75 38.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.977 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 152.95 174.07 22.96 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.554 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.9 127.78 14.97 Favored 'Trans proline' 0 C--N 1.34 0.118 0 C-N-CA 122.532 2.154 . . . . 0.0 112.496 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 28.4 mm -99.08 143.05 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.986 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -140.89 130.2 23.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.805 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -157.37 139.29 14.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.784 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.429 HG21 ' HG3' ' A' ' 179' ' ' ARG . 96.5 m -70.69 147.25 49.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.01 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 20.9 mt -114.68 -40.31 3.59 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.485 ' HB2' ' HE2' ' A' ' 58' ' ' LYS . . . -142.97 145.43 32.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.121 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 179' ' ' ARG . . . . . 0.429 ' HG3' HG21 ' A' ' 176' ' ' THR . 18.7 mtt-85 -137.68 105.84 5.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.001 0.429 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.819 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 15.7 m-85 -103.47 97.83 7.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -100.12 129.44 46.15 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.629 HD12 ' HB3' ' A' ' 158' ' ' GLU . 82.0 mt -73.22 -66.64 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.877 0.37 . . . . 0.0 110.971 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 18.8 m -148.55 143.9 26.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.743 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.19 40.2 0.75 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.057 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -51.21 153.68 1.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -49.48 115.06 1.19 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.844 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.428 ' CD2' ' O ' ' A' ' 187' ' ' HIS . 15.9 p-80 -144.35 129.15 18.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.823 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 49.88 41.27 22.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.54 ' CG ' ' O ' ' A' ' 189' ' ' HIS . 17.9 p-80 -55.13 105.93 0.2 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.001 0.429 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 121.101 0.477 . . . . 0.0 110.868 179.933 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ptt? . . . . . 0 C--O 1.234 0.251 0 CA-C-O 120.764 0.316 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 2' ' ' ARG . 3.6 ptm180 -97.33 83.78 3.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.805 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.562 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -72.41 151.64 42.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.197 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -162.16 143.16 10.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.937 HG22 HD13 ' A' ' 162' ' ' LEU . 12.1 pt -104.0 140.15 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.999 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -136.38 171.23 14.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.978 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.1 mt -107.08 116.61 51.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.045 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.01 129.88 4.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.823 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 9' ' ' VAL . 5.7 m -108.4 91.0 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.059 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.8 t -43.98 167.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.815 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -51.36 -42.93 61.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.2 p -43.55 -30.17 0.56 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.1 t -97.75 -50.57 11.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.73 ' O ' HG23 ' A' ' 18' ' ' VAL . 60.9 mtt180 -48.6 -54.44 14.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.784 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -65.11 -34.88 79.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.968 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.8 -65.99 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 69.5 mt -53.97 -50.31 66.82 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.96 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 14' ' ' ARG . 94.3 t -51.31 -43.07 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.151 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -49.19 -45.37 44.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.03 -48.99 77.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.21 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.487 ' OE1' ' CD1' ' A' ' 33' ' ' PHE . 23.9 mt-30 -45.38 -58.68 3.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.031 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -40.69 -35.5 0.49 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.038 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -80.32 -44.44 19.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.059 0.457 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.0 mt -51.69 -67.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.281 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.87 168.92 6.92 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.5 t -130.16 47.17 2.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -75.12 -62.69 1.47 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.456 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 2.9 pm0 -87.13 -39.43 15.55 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.456 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -100.95 152.14 20.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.437 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 24.8 mmmt -108.63 109.65 20.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.847 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.748 HG12 HG22 ' A' ' 131' ' ' VAL . 37.1 mt -134.12 126.46 49.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -90.29 98.66 11.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.925 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.487 ' CD1' ' OE1' ' A' ' 21' ' ' GLN . 18.4 m-85 -60.56 -179.07 0.11 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.995 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.537 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 49.2 t -129.66 140.15 49.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 34' ' ' VAL . 50.1 mm-40 -36.35 154.22 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.474 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 79.1 mtt180 -66.56 -46.24 76.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -76.13 7.79 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.015 0.436 . . . . 0.0 110.994 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.536 ' HB2' HG12 ' A' ' 34' ' ' VAL . 3.0 m120 -111.73 6.51 19.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.823 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.537 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 20.4 m-85 -86.62 7.37 26.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.994 0.426 . . . . 0.0 110.996 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.494 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 2.5 p-80 -51.9 132.3 31.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.734 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.7 mt -70.24 113.84 6.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.215 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.1 m -64.92 101.73 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.285 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.563 ' O ' HD23 ' A' ' 43' ' ' LEU . 5.0 tt -76.54 -48.52 19.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.613 ' NZ ' HD11 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -150.91 134.77 16.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.797 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -99.22 150.87 21.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.877 ' HB3' HD11 ' A' ' 49' ' ' ILE . 14.2 mt -117.08 -63.37 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.002 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.85 -138.99 14.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.505 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' C ' HG13 ' A' ' 49' ' ' ILE . 29.7 tt0 -66.63 127.23 31.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.965 0.412 . . . . 0.0 110.848 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.877 HD11 ' HB3' ' A' ' 46' ' ' LEU . 10.0 mt -152.49 147.8 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.4 p -94.73 143.49 26.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -42.83 -27.04 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -82.26 -50.73 8.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.705 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.591 ' O ' HD12 ' A' ' 57' ' ' ILE . 15.1 mm100 -62.79 -29.04 70.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.01 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.55 -61.03 1.7 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.975 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -52.07 -35.81 48.65 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -51.54 -35.06 39.24 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.791 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.3 mp -80.18 -56.94 5.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.186 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' ILE . 81.5 mttt -36.27 -60.2 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -45.33 -43.42 10.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 57' ' ' ILE . 56.9 mt -58.08 -38.73 69.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.07 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 27.4 mt -70.3 -33.58 71.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -55.87 -54.34 45.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -61.02 -50.7 72.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.981 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.48 ' CD1' ' HA ' ' A' ' 107' ' ' ILE . 19.5 mt -57.57 -66.66 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.146 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -44.74 -20.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 64' ' ' ILE . 6.5 ttmt -88.58 -46.56 8.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -65.55 -11.85 47.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.972 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.549 ' CD2' HG12 ' A' ' 103' ' ' ILE . 43.5 m-85 -106.61 162.99 13.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.99 173.79 6.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.987 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -85.32 110.34 19.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.402 ' O ' HG23 ' A' ' 156' ' ' ILE . 28.4 t60 -98.78 163.47 12.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.838 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -114.21 110.05 19.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.018 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.4 m -115.82 169.26 6.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.056 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -121.33 161.79 21.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.536 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.9 p -123.8 106.96 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 25.5 ttm180 -156.7 147.76 22.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.907 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.404 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 98.84 145.67 19.05 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.47 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.446 HG23 ' O ' ' A' ' 91' ' ' TRP . 50.3 mt -142.63 137.29 28.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 111.209 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -118.57 168.35 13.2 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.9 m -136.0 164.85 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.018 0.437 . . . . 0.0 111.08 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.568 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 11.8 m-85 -149.22 153.27 37.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.722 0.773 . . . . 0.0 110.888 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.9 Cg_endo -69.86 -21.61 10.22 Favored 'Cis proline' 0 C--N 1.344 0.324 0 C-N-CA 122.598 -1.834 . . . . 0.0 112.435 0.1 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.447 ' CG ' ' C ' ' A' ' 82' ' ' PRO . 0.6 OUTLIER -163.36 159.37 18.04 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.701 0.762 . . . . 0.0 110.901 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.73 -64.33 0.25 Allowed 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.702 2.268 . . . . 0.0 112.409 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -39.33 -36.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.041 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -131.5 91.38 3.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 71.7 t -82.55 134.53 26.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.217 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -128.68 -38.29 1.71 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.762 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.689 HG22 ' HG2' ' A' ' 130' ' ' ARG . 89.3 t -135.97 119.27 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.421 ' CD1' HD13 ' A' ' 31' ' ' ILE . 64.8 mt -88.09 128.07 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.974 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.568 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 49.2 p-90 -144.89 143.62 30.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.959 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.53 166.32 12.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.076 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.2 147.93 16.66 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.519 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.8 t -99.55 142.79 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.937 0.398 . . . . 0.0 111.092 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.504 ' O ' ' C ' ' A' ' 96' ' ' ASN . 15.2 mt-10 -70.87 -176.35 1.32 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.504 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.3 p-10 -30.0 100.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.522 ' HB2' HD12 ' A' ' 100' ' ' ILE . 3.4 p30 -124.87 50.4 1.75 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.937 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -54.34 -62.99 1.3 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.558 HD13 ' HE3' ' A' ' 102' ' ' LYS . 29.1 mm -42.48 -56.46 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.991 0.424 . . . . 0.0 111.249 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.522 HD12 ' HB2' ' A' ' 97' ' ' ASP . 82.0 mt -50.74 -35.39 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.018 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -68.93 -60.45 2.36 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.984 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.558 ' HE3' HD13 ' A' ' 99' ' ' ILE . 12.2 ptpt -51.61 -39.9 58.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.068 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.568 HG22 ' CD1' ' A' ' 107' ' ' ILE . 60.1 mt -66.36 -50.3 68.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.019 0.437 . . . . 0.0 111.144 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.25 -45.94 72.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.122 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -61.98 -47.97 82.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -65.04 -25.33 67.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.005 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.568 ' CD1' HG22 ' A' ' 103' ' ' ILE . 62.1 mt -75.57 -44.48 40.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.239 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -76.7 -32.64 58.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.825 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -53.75 -43.94 69.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.027 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -67.91 -47.87 67.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.724 HD23 HD12 ' A' ' 114' ' ' LEU . 33.7 mt -56.33 -40.33 74.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -38.52 -35.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.961 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -70.89 -42.8 69.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.737 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.724 HD12 HD23 ' A' ' 111' ' ' LEU . 28.7 mt -64.95 -19.07 65.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.97 0.414 . . . . 0.0 111.064 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 108.3 55.75 0.59 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.58 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -124.53 170.96 10.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.002 0.429 . . . . 0.0 110.784 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -85.71 147.8 26.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.051 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -119.16 127.22 53.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -97.89 107.14 19.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -46.33 -76.72 0.12 Allowed Glycine 0 C--O 1.228 -0.252 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.459 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.71 113.38 24.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.669 0.271 . . . . 0.0 111.057 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -89.29 145.44 25.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.022 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 62.3 t -142.35 115.87 4.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.266 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.84 107.41 9.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.157 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -141.4 166.84 23.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.56 ' N ' HD12 ' A' ' 126' ' ' ILE . 1.7 mp -138.49 107.92 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.011 0.434 . . . . 0.0 111.164 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 84.3 m -66.57 118.89 10.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.048 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 74.1 mt -83.32 -30.71 27.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.083 0.468 . . . . 0.0 111.055 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 165.52 161.27 14.15 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.689 ' HG2' HG22 ' A' ' 89' ' ' VAL . 31.8 mtp180 -97.74 155.41 17.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.076 0.465 . . . . 0.0 110.746 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.748 HG22 HG12 ' A' ' 31' ' ' ILE . 94.7 t -101.52 124.26 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -84.27 -60.18 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.771 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.494 ' O ' ' CD1' ' A' ' 133' ' ' PHE . 4.7 p90 -164.01 132.01 3.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.038 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.417 HG11 HD11 ' A' ' 140' ' ' LEU . 1.8 p -127.18 153.13 36.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.092 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.401 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 54.2 tttm -107.51 -42.0 4.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -85.31 96.33 9.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 138' ' ' LEU . 35.7 mttp -64.62 -67.37 0.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 137' ' ' LYS . 48.6 mt -34.91 -45.07 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.815 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -48.63 -47.08 30.29 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.495 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.417 HD11 HG11 ' A' ' 134' ' ' VAL . 48.9 mt -49.43 -60.34 2.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.765 0.317 . . . . 0.0 110.821 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.84 -60.98 2.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.109 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 7.6 mmt -40.38 -32.31 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -81.55 -52.02 7.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.974 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 58.6 mt -40.78 -48.72 3.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.187 0.517 . . . . 0.0 110.921 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -49.47 -43.77 45.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.85 -38.68 91.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.755 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.5 mp -100.31 33.84 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.009 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -96.64 -39.83 9.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.186 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 150' ' ' GLU . 70.9 m-20 -110.01 -26.71 9.58 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 149' ' ' ASN . 3.5 tp10 -34.67 110.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.102 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 153' ' ' GLY . 7.8 t70 -73.3 152.47 40.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.536 ' HB2' HG13 ' A' ' 75' ' ' VAL . 48.8 m-85 -115.6 -29.94 6.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.799 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' A' ' 151' ' ' ASP . . . 132.99 -165.54 23.93 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.421 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 14.9 p -146.86 167.02 24.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 0.0 110.945 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -164.67 165.52 20.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.711 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 71' ' ' HIS . 49.0 mt -111.66 127.83 68.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.073 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 47.5 t -71.21 104.2 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.492 ' HB3' HD12 ' A' ' 182' ' ' LEU . 9.6 mt-10 -100.21 -72.17 0.68 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.991 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.803 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -101.46 171.47 7.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.072 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 95.8 mt -121.31 145.37 27.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.078 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -120.06 127.02 52.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.937 HD13 HG22 ' A' ' 5' ' ' ILE . 33.0 tp -114.13 105.53 13.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -111.59 161.29 16.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.125 0.488 . . . . 0.0 110.86 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.44 ' HZ3' HD11 ' A' ' 177' ' ' LEU . 2.2 tmmm? -133.13 152.44 51.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.737 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.536 ' OG ' ' CE1' ' A' ' 174' ' ' TYR . 1.4 m -116.7 142.55 46.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.794 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 65.8 m -134.88 98.81 4.12 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.29 131.04 45.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 30.5 p -138.37 155.6 73.88 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.244 0.545 . . . . 0.0 111.339 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -48.09 -33.75 21.78 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.85 2.367 . . . . 0.0 112.206 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -22.99 42.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.012 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 146.79 172.02 16.65 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.286 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.78 130.48 19.39 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.586 2.191 . . . . 0.0 112.398 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 32.6 mm -105.04 142.39 18.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.025 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' TYR . . . . . 0.536 ' CE1' ' OG ' ' A' ' 165' ' ' SER . 4.6 m-85 -127.54 120.98 29.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.107 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -143.45 151.7 40.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.834 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.412 HG21 ' CG ' ' A' ' 179' ' ' ARG . 21.2 m -86.18 148.25 25.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.44 HD11 ' HZ3' ' A' ' 164' ' ' LYS . 19.9 mt -116.06 -45.96 2.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.848 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.624 ' HB3' HD23 ' A' ' 162' ' ' LEU . . . -141.45 137.96 32.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.015 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 179' ' ' ARG . . . . . 0.412 ' CG ' HG21 ' A' ' 176' ' ' THR . 0.0 OUTLIER -129.54 109.76 11.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.843 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.803 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 2.2 m-85 -93.27 97.57 10.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -101.1 129.08 46.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.772 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.492 HD12 ' HB3' ' A' ' 158' ' ' GLU . 80.2 mt -70.13 -60.5 2.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.078 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 8.4 t -142.58 178.31 7.7 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.727 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -61.13 149.75 36.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -147.93 107.83 4.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.993 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.79 85.11 0.03 OUTLIER 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.016 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.424 ' O ' ' CG ' ' A' ' 187' ' ' HIS . 6.3 p80 -97.53 122.42 40.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 25.7 p-80 -141.93 149.14 39.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.912 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 189' ' ' HIS . 9.9 p80 -156.29 114.67 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.65 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.911 179.826 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ptt? . . . . . 0 C--O 1.234 0.272 0 CA-C-O 120.516 0.198 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.457 ' CG ' ' HB3' ' A' ' 165' ' ' SER . 10.1 ptp180 -98.26 86.59 3.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.744 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.811 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -78.89 160.65 27.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.958 0.409 . . . . 0.0 111.043 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.518 ' O ' HD12 ' A' ' 162' ' ' LEU . 39.7 p90 -170.65 143.61 2.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.679 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.2 pt -95.95 138.23 21.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.328 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -137.45 163.28 31.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.276 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.1 HG21 HG22 ' A' ' 157' ' ' VAL . 65.5 mt -104.16 125.24 58.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -49.33 144.48 5.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.955 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.446 HG23 ' HG3' ' A' ' 14' ' ' ARG . 4.8 m -118.5 90.18 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.23 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 m -38.34 154.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 12' ' ' SER . 6.5 mm-40 -42.86 -52.25 5.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.718 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 11' ' ' GLU . 13.9 t -34.52 -49.5 0.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.037 0.446 . . . . 0.0 110.693 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.598 HG21 ' CE2' ' A' ' 155' ' ' PHE . 87.2 t -75.62 -53.78 15.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.028 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.612 ' O ' HG23 ' A' ' 18' ' ' VAL . 57.7 mtt180 -43.11 -54.33 4.45 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -68.83 -31.98 71.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.3 -55.24 36.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.052 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.72 HD23 ' CE1' ' A' ' 152' ' ' PHE . 84.7 mt -63.49 -49.55 73.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.75 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 14' ' ' ARG . 93.6 t -55.13 -40.74 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.262 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -49.68 -46.03 49.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.439 ' HB1' ' CD2' ' A' ' 147' ' ' LEU . . . -62.17 -50.51 71.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.544 ' OE1' ' CD1' ' A' ' 33' ' ' PHE . 17.5 mt-30 -46.29 -55.51 7.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.999 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.71 -47.28 10.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.725 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -66.13 -37.56 85.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.948 0.404 . . . . 0.0 110.974 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.767 HG23 ' HD3' ' A' ' 143' ' ' LYS . 86.1 mt -63.17 -60.7 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.091 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.34 173.76 8.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.382 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.7 p -134.46 48.28 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.357 . . . . 0.0 110.915 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -74.23 -57.45 3.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.0 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.04 -42.22 10.64 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.753 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.29 147.57 25.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 6.0 tmtm? -103.09 103.2 13.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.986 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.552 HG12 HG22 ' A' ' 131' ' ' VAL . 34.1 mt -123.5 119.4 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.081 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -87.57 81.78 7.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.737 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.544 ' CD1' ' OE1' ' A' ' 21' ' ' GLN . 16.6 m-85 -56.26 173.31 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.601 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 85.0 t -105.05 145.73 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.403 ' HB2' ' OD1' ' A' ' 38' ' ' ASN . 5.7 mm-40 -49.13 176.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.521 ' HA ' ' CD2' ' A' ' 39' ' ' PHE . 46.1 mtt180 -82.2 -41.13 20.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -81.93 18.49 1.3 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.815 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.484 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -135.05 22.81 3.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.869 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.601 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 11.3 m-85 -96.24 10.69 37.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -56.26 149.91 15.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.713 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.1 mt -86.84 112.43 23.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.204 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.0 m -64.79 97.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.056 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.408 HD12 HD11 ' A' ' 7' ' ' ILE . 5.4 tt -68.44 -46.64 69.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.462 ' NZ ' HD21 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -157.17 129.91 7.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.879 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -93.2 139.72 30.3 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.787 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.56 ' CB ' HD11 ' A' ' 49' ' ' ILE . 81.4 mt -103.63 -63.08 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.957 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.37 -132.39 11.01 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.503 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.33 120.17 12.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.94 0.4 . . . . 0.0 110.949 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.811 HD12 ' HB3' ' A' ' 3' ' ' ALA . 26.1 mt -137.78 152.6 26.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.142 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 51' ' ' GLU . 21.3 p -105.18 138.85 40.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 50' ' ' THR . 5.2 mp0 -34.08 -37.96 0.05 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.988 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' THR . 21.3 mt-10 -69.81 -66.32 0.61 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 56' ' ' GLU . 79.6 mm-40 -43.19 -39.51 2.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.07 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -39.22 -61.93 0.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.02 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 56' ' ' GLU . 2.8 pt-20 -56.62 -26.83 56.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.762 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 53' ' ' GLN . 6.5 tp10 -61.39 -55.95 25.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.735 ' H ' HD12 ' A' ' 57' ' ' ILE . 4.1 mp -54.92 -59.79 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.1 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.723 ' HE2' ' HB2' ' A' ' 178' ' ' ALA . 8.3 mtpm? -35.97 -56.84 0.71 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.204 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -45.43 -50.11 12.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 57.7 mt -59.08 -51.53 71.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.169 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 58' ' ' LYS . 42.0 mt -51.11 -30.77 17.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.892 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -74.73 -32.2 62.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.788 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 45.7 mttt -78.3 -28.84 47.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.77 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.478 ' HA ' ' CD ' ' A' ' 67' ' ' LYS . 90.2 mt -87.67 -54.95 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.497 ' HB2' HD12 ' A' ' 160' ' ' ILE . . . -48.31 -20.25 0.37 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.005 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.48 -25.96 14.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.816 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.478 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 1.5 ptmt -78.77 -18.67 53.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.454 ' CD2' HG12 ' A' ' 103' ' ' ILE . 39.7 m-85 -106.99 157.5 17.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.76 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -99.46 175.05 5.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.012 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.48 ' HB3' ' CG2' ' A' ' 156' ' ' ILE . 7.5 mptt -97.71 108.75 21.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.862 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.668 ' O ' HG23 ' A' ' 156' ' ' ILE . 5.5 t60 -98.6 164.4 12.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -107.35 123.13 47.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.2 m -128.28 165.51 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 153' ' ' GLY . 9.2 t-20 -118.64 162.79 17.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.911 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.802 HG13 ' HB2' ' A' ' 152' ' ' PHE . 1.5 p -124.03 112.05 31.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.472 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 17.9 ttp180 -157.19 150.82 24.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.725 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.472 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 94.28 151.04 27.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.648 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.8 mt -142.58 129.41 18.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.695 0.283 . . . . 0.0 111.272 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.54 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -107.32 156.19 16.03 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.591 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.9 m -126.26 163.0 29.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.819 0.342 . . . . 0.0 111.265 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.565 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 10.2 m-85 -149.52 152.0 34.41 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.674 0.749 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 53.1 Cg_endo -69.92 -20.07 11.11 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.28 0.14 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -168.4 162.94 8.66 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.602 0.715 . . . . 0.0 110.957 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -47.83 -62.04 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.749 2.299 . . . . 0.0 112.248 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.44 ' ND2' ' HB2' ' A' ' 86' ' ' TYR . 1.6 p-10 -38.86 -37.43 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.815 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.44 ' HB2' ' ND2' ' A' ' 85' ' ' ASN . 5.4 t80 -133.8 95.84 3.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.086 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 63.9 t -89.71 128.7 41.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -125.55 -42.3 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.013 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 58.3 t -125.96 120.41 57.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.092 0.472 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 70.3 mt -91.81 121.61 42.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.027 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.565 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 39.1 p-90 -135.17 141.73 45.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.926 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.23 162.34 15.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.869 0.366 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.98 138.25 11.26 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.508 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 97.0 t -93.82 149.94 4.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.743 0.306 . . . . 0.0 111.214 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.523 ' O ' ' C ' ' A' ' 96' ' ' ASN . 23.0 mt-10 -71.81 -176.05 1.56 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.097 0.475 . . . . 0.0 110.668 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.523 ' C ' ' O ' ' A' ' 95' ' ' GLU . 13.2 p-10 -27.07 114.81 0.07 Allowed 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.834 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.505 ' HB2' HD12 ' A' ' 100' ' ' ILE . 3.6 p-10 -131.17 37.14 3.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -47.5 -63.22 1.11 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.783 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 47.9 mm -45.87 -45.28 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.505 HD12 ' HB2' ' A' ' 97' ' ' ASP . 54.4 mt -59.64 -42.6 88.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.923 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.564 ' HG2' ' CD1' ' A' ' 122' ' ' PHE . 5.9 mtmp? -56.27 -56.76 17.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -45.74 -55.94 5.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.949 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.821 HG22 ' CD1' ' A' ' 107' ' ' ILE . 63.6 mt -54.17 -50.65 53.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.368 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.57 -32.72 59.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.996 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -78.07 -47.52 18.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.909 0.385 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -60.94 -50.98 71.21 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.004 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.821 ' CD1' HG22 ' A' ' 103' ' ' ILE . 60.6 mt -50.87 -47.74 29.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.218 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 111' ' ' LEU . 8.0 t0 -68.32 -53.01 27.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.696 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 108' ' ' ASP . 10.2 t0 -34.77 -47.53 0.34 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.919 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -68.88 -41.49 78.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.68 HD23 HD12 ' A' ' 114' ' ' LEU . 71.5 mt -61.56 -41.12 96.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 111' ' ' LEU . . . -36.72 -39.87 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.961 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -67.72 -42.48 81.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.773 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.68 HD12 HD23 ' A' ' 111' ' ' LEU . 26.6 mt -64.86 -29.27 70.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.151 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 122.43 55.11 0.21 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.46 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.491 ' CD1' ' HB3' ' A' ' 111' ' ' LEU . 89.5 m-85 -131.32 151.38 51.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.115 0.483 . . . . 0.0 110.936 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.59 135.87 34.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.041 0.448 . . . . 0.0 110.728 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -110.4 142.09 42.57 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -98.27 124.48 42.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.44 -62.03 6.42 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.283 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -92.99 111.55 23.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.895 0.379 . . . . 0.0 110.983 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.564 ' CD1' ' HG2' ' A' ' 101' ' ' LYS . 1.1 t80 -88.84 139.25 30.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.037 0.446 . . . . 0.0 110.88 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 34.7 t -136.21 115.35 16.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.067 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.23 106.49 11.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.975 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.44 ' C ' HD12 ' A' ' 126' ' ' ILE . 25.3 p-80 -140.96 161.55 37.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.521 ' N ' HD12 ' A' ' 126' ' ' ILE . 4.4 mp -131.93 103.63 7.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.174 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 91.0 m -55.29 109.42 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.13 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 51.2 mt -73.56 -39.8 64.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 176.72 -176.81 48.07 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.566 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 -125.92 146.29 49.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.552 HG22 HG12 ' A' ' 31' ' ' ILE . 87.0 t -91.79 127.19 44.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -95.02 -62.15 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.032 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.483 ' O ' ' CD1' ' A' ' 133' ' ' PHE . 7.5 p90 -149.81 132.31 15.73 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.845 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.607 HG21 HD21 ' A' ' 140' ' ' LEU . 3.0 p -133.34 150.78 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.411 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -110.95 -50.7 2.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -76.91 108.98 10.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 138' ' ' LEU . 3.2 mppt? -71.53 -63.94 1.02 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 137' ' ' LYS . 31.4 mt -37.41 -52.92 1.14 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -43.31 -42.39 5.52 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.512 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.607 HD21 HG21 ' A' ' 134' ' ' VAL . 69.5 mt -52.58 -63.67 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.769 0.318 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.577 ' HA ' HD12 ' A' ' 144' ' ' LEU . . . -61.44 -60.0 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.4 mmt -38.26 -38.25 0.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.767 ' HD3' HG23 ' A' ' 24' ' ' ILE . 3.5 ttmt -70.73 -59.04 3.04 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.823 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 141' ' ' ALA . 29.8 mt -38.9 -54.14 1.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.885 0.374 . . . . 0.0 110.746 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -50.66 -42.95 57.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.731 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.9 -37.41 87.56 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.04 0.448 . . . . 0.0 111.015 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.599 ' CD2' HD11 ' A' ' 24' ' ' ILE . 8.2 mp -107.43 39.47 1.89 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.986 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -99.01 -37.71 9.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.981 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 150' ' ' GLU . 33.7 m120 -108.1 -24.66 11.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.855 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 149' ' ' ASN . 8.0 tm-20 -34.97 121.8 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.06 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -87.66 153.46 21.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.802 ' HB2' HG13 ' A' ' 75' ' ' VAL . 81.8 m-85 -112.59 -33.57 6.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.816 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' GLY . . . . . 0.427 ' O ' ' ND2' ' A' ' 74' ' ' ASN . . . 136.9 -163.45 25.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.425 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.8 m -146.61 159.63 43.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' PHE . . . . . 0.598 ' CE2' HG21 ' A' ' 13' ' ' VAL . 34.1 p90 -165.49 169.78 15.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.668 HG23 ' O ' ' A' ' 71' ' ' HIS . 77.1 mt -112.6 130.02 67.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.056 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 1.1 HG22 HG21 ' A' ' 7' ' ' ILE . 55.4 t -84.13 99.9 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.108 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.465 ' C ' HD12 ' A' ' 182' ' ' LEU . 16.3 mp0 -98.79 -69.89 0.75 Allowed 'General case' 0 C--O 1.224 -0.255 0 CA-C-O 121.077 0.465 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.98 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -86.0 176.17 8.18 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.058 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 160' ' ' ILE . . . . . 0.497 HD12 ' HB2' ' A' ' 65' ' ' ALA . 66.9 mt -131.08 153.01 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.283 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.423 ' N ' HG22 ' A' ' 160' ' ' ILE . 1.2 tm-20 -129.43 127.72 41.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.815 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' ' 4' ' ' PHE . 35.5 tp -115.97 120.93 40.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.792 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -126.79 155.48 42.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.991 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.574 ' HD3' HD21 ' A' ' 177' ' ' LEU . 10.3 pttm -127.56 151.65 48.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.027 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.457 ' HB3' ' CG ' ' A' ' 2' ' ' ARG . 6.7 t -118.21 139.4 51.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.001 0.429 . . . . 0.0 110.64 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 88.1 m -135.14 100.95 4.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.237 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 18.4 mt -67.44 128.06 35.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 18.1 p -130.7 158.05 75.94 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.671 0.748 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -48.13 -31.47 16.59 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.782 2.321 . . . . 0.0 112.235 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.42 -33.65 36.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.962 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 159.35 176.67 31.67 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.673 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.53 121.91 8.65 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.716 2.277 . . . . 0.0 112.387 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 20.0 mm -97.39 137.8 24.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -128.54 114.97 17.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.048 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 176' ' ' THR . 9.7 tp10 -133.37 158.42 43.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.992 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.455 ' N ' ' HG3' ' A' ' 175' ' ' GLU . 18.8 m -91.71 146.49 23.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.026 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.574 HD21 ' HD3' ' A' ' 164' ' ' LYS . 34.4 mt -112.4 -42.82 3.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.087 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.723 ' HB2' ' HE2' ' A' ' 58' ' ' LYS . . . -140.75 141.36 34.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.203 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -136.3 105.11 5.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.984 0.421 . . . . 0.0 110.81 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.98 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 18.3 m-85 -110.18 99.14 8.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -98.01 136.56 38.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.465 HD12 ' C ' ' A' ' 158' ' ' GLU . 24.1 mt -115.79 -60.4 1.87 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.085 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 22.9 t -44.65 160.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.684 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -143.17 168.89 18.69 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.86 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -118.07 89.14 3.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.703 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -107.98 -58.22 2.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 -120.2 83.01 1.98 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.796 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 188' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 189' ' ' HIS . 23.6 t60 -121.64 84.94 2.32 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.773 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 188' ' ' HIS . 6.9 m170 36.37 42.0 0.17 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.78 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.01 179.847 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.505 ' CG ' ' O ' ' A' ' 1' ' ' MET . 9.9 ttt . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.981 0.42 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.5 ttt85 -74.35 72.73 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.042 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.657 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -63.77 154.82 32.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.447 ' O ' HD12 ' A' ' 162' ' ' LEU . 27.7 p90 -167.16 134.25 2.37 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.735 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.748 HD11 ' HB3' ' A' ' 44' ' ' LYS . 26.1 pt -91.36 137.99 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -133.7 162.88 30.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.903 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.704 HG21 HG22 ' A' ' 157' ' ' VAL . 37.1 mt -106.74 134.33 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.91 130.84 47.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 10' ' ' SER . 3.2 m -111.27 89.31 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.953 0.406 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 9' ' ' VAL . 3.8 t -35.15 152.42 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -42.83 -37.88 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.807 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.2 t -41.67 -42.55 2.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.3 t -86.25 -54.91 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.21 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.688 ' O ' HG23 ' A' ' 18' ' ' VAL . 27.8 mtt180 -42.83 -53.22 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.836 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.7 -35.81 79.09 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.02 -68.82 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.957 0.408 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.0 mt -41.05 -45.46 2.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.956 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 14' ' ' ARG . 99.7 t -56.91 -36.94 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -54.78 -45.26 74.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.55 -48.01 81.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.158 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 24' ' ' ILE . 20.9 mt-30 -51.29 -60.47 3.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -41.42 -39.17 1.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' CE2' ' HG2' ' A' ' 143' ' ' LYS . 47.9 t80 -71.27 -36.44 71.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' GLN . 39.0 mt -68.94 -58.81 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.17 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.75 162.88 0.23 Allowed Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.611 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.2 m -118.03 38.65 3.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.893 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.6 mttm -70.64 -53.23 16.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -98.46 -39.76 8.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.901 179.789 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.434 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -99.96 149.33 23.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -105.77 100.7 10.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.507 HG12 HG22 ' A' ' 131' ' ' VAL . 53.3 mt -123.59 117.63 51.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -80.43 79.25 7.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.841 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -56.02 163.77 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.969 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 128' ' ' LEU . 50.9 t -105.15 148.78 9.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.237 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -41.1 163.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.795 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -76.28 -45.49 32.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 37' ' ' GLU . 10.3 tt0 -73.77 3.99 5.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.786 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -111.57 20.5 17.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.093 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -93.31 7.86 42.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.704 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -55.21 143.31 28.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.9 mt -79.53 119.26 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.068 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.2 m -69.97 92.59 0.73 Allowed 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.039 0.447 . . . . 0.0 111.171 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.475 ' O ' ' CE1' ' A' ' 122' ' ' PHE . 5.4 tt -51.28 -53.73 32.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.748 ' HB3' HD11 ' A' ' 5' ' ' ILE . 30.7 tttm -153.46 147.33 25.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.128 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.425 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 46.3 t80 -99.85 140.05 34.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.987 0.423 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.8 mt -111.82 -64.52 1.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.49 -130.85 10.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.353 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.444 ' C ' HG13 ' A' ' 49' ' ' ILE . 16.2 mt-10 -74.05 136.87 43.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.709 0.29 . . . . 0.0 110.838 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.657 HD12 ' HB3' ' A' ' 3' ' ' ALA . 27.0 mt -149.2 155.55 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.428 ' N ' HG22 ' A' ' 49' ' ' ILE . 34.7 p -97.38 135.94 38.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.089 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -41.01 -26.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.963 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 50' ' ' THR . 21.5 mt-10 -79.15 -49.2 12.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.733 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.472 ' OE1' ' N ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -68.48 -24.9 64.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.87 0.367 . . . . 0.0 110.747 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.69 -55.82 8.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.337 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -58.97 -20.7 55.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.415 ' HG2' HD21 ' A' ' 114' ' ' LEU . 4.7 tp10 -71.07 -45.14 64.33 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.728 HG13 HD21 ' A' ' 111' ' ' LEU . 1.9 mp -56.42 -42.48 75.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.155 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -62.54 -71.68 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -35.53 -38.31 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.022 179.671 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.592 HG23 ' OE2' ' A' ' 110' ' ' GLU . 91.4 mt -66.22 -50.03 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 58' ' ' LYS . 25.3 mt -60.92 -32.43 71.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.951 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -54.33 -47.64 72.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -52.43 17.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.887 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.467 ' CD1' ' HA ' ' A' ' 107' ' ' ILE . 40.1 mt -51.18 -61.37 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.29 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.468 ' HB2' HD12 ' A' ' 160' ' ' ILE . . . -51.22 -16.32 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.083 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -97.48 -34.79 10.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.059 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -13.4 61.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.005 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.567 ' CD2' HG12 ' A' ' 103' ' ' ILE . 46.2 m-85 -106.83 155.4 19.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.044 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 172.06 8.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.751 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -86.79 100.15 12.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.787 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -91.86 155.53 18.13 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.84 112.79 23.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.748 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.6 m -113.98 165.01 9.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.086 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.474 ' O ' HG13 ' A' ' 94' ' ' VAL . 24.7 t-20 -115.1 152.53 32.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.742 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.45 ' O ' HG22 ' A' ' 75' ' ' VAL . 1.0 OUTLIER -112.48 98.4 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.048 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -143.01 155.61 44.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.045 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.49 137.2 3.1 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.547 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 91' ' ' TRP . 70.7 mt -135.51 136.5 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.931 0.396 . . . . 0.0 110.922 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.515 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -114.76 170.42 13.25 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.527 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.433 HG21 ' HA ' ' A' ' 84' ' ' PRO . 34.7 m -137.42 157.36 34.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 111.213 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.613 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 11.6 m-85 -137.99 153.32 73.43 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.502 0.668 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 52.9 Cg_endo -69.79 -28.79 6.08 Favored 'Cis proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.826 -1.739 . . . . 0.0 112.188 0.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -155.89 158.7 31.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.685 0.755 . . . . 0.0 111.032 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.433 ' HA ' HG21 ' A' ' 80' ' ' VAL . 62.3 Cg_exo -47.94 -55.68 3.79 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.621 2.214 . . . . 0.0 112.428 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -43.11 -40.5 3.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.772 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -131.22 90.31 2.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 74.8 t -79.46 131.86 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.179 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -127.31 -30.76 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.2 t -142.67 122.09 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.234 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 96.1 mt -89.07 128.29 41.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.613 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 19.5 p-90 -139.97 140.93 36.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.885 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.8 159.44 15.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.78 150.74 16.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.474 HG13 ' O ' ' A' ' 74' ' ' ASN . 90.4 t -109.13 146.72 14.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.877 0.37 . . . . 0.0 111.042 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.537 ' O ' ' C ' ' A' ' 96' ' ' ASN . 6.2 pt-20 -71.79 -175.71 1.46 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.537 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.7 t-20 -26.64 109.71 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.13 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.41 29.82 6.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.776 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -40.38 -61.93 0.84 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.815 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 11.3 mm -42.79 -47.65 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 58.9 mt -66.85 -34.53 70.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.215 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -61.98 -63.07 1.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.948 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -50.44 -29.54 10.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.567 HG12 ' CD2' ' A' ' 68' ' ' TYR . 65.5 mt -73.46 -44.69 53.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.194 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.08 -36.28 77.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.222 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -71.67 -42.73 67.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -60.42 -50.05 75.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.467 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 53.1 mt -51.49 -39.37 22.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.323 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.514 ' HA ' HD12 ' A' ' 111' ' ' LEU . 4.9 t70 -75.58 -49.32 18.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.949 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 108' ' ' ASP . 6.1 t0 -37.3 -32.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.021 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.592 ' OE2' HG23 ' A' ' 60' ' ' ILE . 3.3 mt-10 -82.99 -40.6 19.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.728 HD21 HG13 ' A' ' 57' ' ' ILE . 27.3 mt -64.73 -38.65 91.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.727 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -41.69 -31.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -78.32 -37.57 44.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.513 HD12 HD23 ' A' ' 111' ' ' LEU . 37.6 mt -72.41 -24.73 61.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.992 0.425 . . . . 0.0 110.839 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 116.98 62.13 0.32 Allowed Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.558 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.517 ' CD1' ' HB3' ' A' ' 111' ' ' LEU . 51.5 m-85 -131.3 172.23 12.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.976 0.417 . . . . 0.0 110.812 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.0 tttt -100.71 152.23 20.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.953 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -118.38 135.62 54.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.874 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -99.95 122.98 43.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.902 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.86 -67.39 2.24 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.41 124.05 44.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.969 0.414 . . . . 0.0 110.77 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.475 ' CE1' ' O ' ' A' ' 43' ' ' LEU . 87.0 t80 -98.35 146.11 26.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 97.7 t -141.2 113.62 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.213 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.78 102.54 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.188 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 26.1 p-80 -136.24 165.0 26.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.969 0.414 . . . . 0.0 110.748 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.597 ' N ' HD12 ' A' ' 126' ' ' ILE . 1.7 mp -136.16 107.35 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.096 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 94.1 m -62.76 109.53 1.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.291 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 34' ' ' VAL . 60.4 mt -72.37 -49.69 32.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -171.88 -179.23 42.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.528 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -122.48 146.55 47.28 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.884 0.373 . . . . 0.0 110.767 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.507 HG22 HG12 ' A' ' 31' ' ' ILE . 93.4 t -96.55 114.57 33.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.073 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.93 -50.02 6.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.79 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.555 ' O ' ' CD1' ' A' ' 133' ' ' PHE . 24.2 p90 -160.98 125.46 3.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.066 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.463 HG11 HD11 ' A' ' 140' ' ' LEU . 2.3 p -124.62 150.46 29.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.139 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -106.21 -49.85 3.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.033 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -88.3 93.75 9.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.732 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 138' ' ' LEU . 30.6 ttpt -61.95 -56.54 18.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.756 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.606 HD22 ' CE ' ' A' ' 142' ' ' MET . 30.1 mt -34.26 -49.55 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.761 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -44.83 -56.16 5.94 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.729 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.463 HD11 HG11 ' A' ' 134' ' ' VAL . 43.5 mt -41.7 -61.19 1.14 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.764 0.316 . . . . 0.0 111.001 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -61.91 -59.49 5.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.04 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.606 ' CE ' HD22 ' A' ' 138' ' ' LEU . 8.4 mmt -37.94 -36.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.791 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 146' ' ' GLU . 24.5 mtmt -83.23 -56.66 3.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.456 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 55.4 mt -37.29 -46.55 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.874 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -60.77 -39.93 90.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 143' ' ' LYS . 20.4 mm-40 -72.2 -44.03 63.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.752 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 3.8 mp -84.93 10.04 12.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.943 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 144' ' ' LEU . . . -80.38 -38.29 30.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -109.79 -20.0 12.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -47.54 112.16 0.51 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -74.19 150.28 40.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.676 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.446 ' HB2' HG13 ' A' ' 75' ' ' VAL . 76.4 m-85 -112.65 -22.17 10.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.029 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 123.47 -166.86 15.82 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.539 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.8 p -134.62 179.3 6.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.024 0.44 . . . . 0.0 110.746 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -174.85 157.04 2.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 8.1 mt -108.76 127.87 64.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.262 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.704 HG22 HG21 ' A' ' 7' ' ' ILE . 27.5 t -74.96 97.09 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.055 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.565 ' O ' HD11 ' A' ' 182' ' ' LEU . 42.8 mt-10 -97.07 -70.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -98.56 168.35 10.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.074 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 161' ' ' GLU . 91.6 mt -124.19 156.76 31.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.18 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.482 ' N ' HG22 ' A' ' 160' ' ' ILE . 6.5 tt0 -135.72 137.39 41.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.746 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.501 HD13 ' CG2' ' A' ' 5' ' ' ILE . 15.5 tp -124.18 126.16 45.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.801 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -127.27 170.2 12.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.956 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.712 ' HD2' HD21 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -118.79 157.25 27.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.776 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 40.7 t -134.29 119.42 18.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.666 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 92.4 m -134.81 99.41 4.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.086 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 71.5 mt -70.84 123.51 22.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.983 0.42 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 43.3 p -123.58 155.77 65.48 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.609 0.718 . . . . 0.0 111.317 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -47.82 -32.99 18.37 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.835 2.357 . . . . 0.0 112.442 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -80.55 -26.53 37.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.718 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 153.58 170.38 19.62 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.57 127.42 14.72 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.7 2.266 . . . . 0.0 112.377 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 38.1 mm -100.03 127.17 53.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.845 0.355 . . . . 0.0 111.087 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -125.63 119.69 28.74 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.069 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -143.73 144.14 31.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.837 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.18 140.89 40.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.208 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.712 HD21 ' HD2' ' A' ' 164' ' ' LYS . 17.7 mt -106.16 -38.39 6.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -162.04 137.79 7.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.055 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -128.12 112.47 14.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.442 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 2.1 m-85 -91.05 97.83 11.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.052 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -100.14 131.76 45.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.793 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.565 HD11 ' O ' ' A' ' 158' ' ' GLU . 26.5 mt -85.48 -55.42 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 10.8 t -45.61 150.45 0.5 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.019 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -129.11 160.88 31.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.645 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 66.48 29.55 9.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -55.16 122.32 10.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -72.53 144.12 48.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -174.37 150.73 1.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -98.78 -46.53 5.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.932 0.396 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.833 -179.893 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.409 ' HE3' ' HB ' ' A' ' 49' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.628 0.251 . . . . 0.0 110.773 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -94.67 80.12 3.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.967 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -88.01 154.03 20.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.759 ' O ' HD12 ' A' ' 162' ' ' LEU . 7.5 p90 -167.52 142.18 3.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.734 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.616 ' CD1' HD13 ' A' ' 107' ' ' ILE . 44.3 pt -85.56 140.57 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.028 0.442 . . . . 0.0 111.242 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.457 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -135.89 154.12 51.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.821 HG21 HG22 ' A' ' 157' ' ' VAL . 88.1 mt -104.17 114.82 44.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.245 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -37.94 140.6 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.792 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.6 m -123.57 91.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.038 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.0 t -44.53 169.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.936 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -50.36 -35.89 30.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.3 p -40.4 -37.74 0.72 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.027 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.3 t -97.7 -56.87 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.534 ' O ' HG23 ' A' ' 18' ' ' VAL . 27.4 mtt180 -41.93 -62.08 0.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.742 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.89 -40.7 66.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.99 -64.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.144 0.497 . . . . 0.0 111.256 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.9 mt -49.79 -46.05 50.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 14' ' ' ARG . 95.1 t -58.52 -41.87 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.239 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -51.51 -41.82 61.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.482 ' HB1' ' CD2' ' A' ' 147' ' ' LEU . . . -67.01 -49.85 64.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.059 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 24' ' ' ILE . 19.4 mt-30 -47.33 -62.16 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.993 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' GLN . 31.1 t70 -36.64 -42.29 0.35 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.989 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -74.64 -41.25 60.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 21' ' ' GLN . 96.2 mt -55.14 -51.54 53.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.87 162.41 1.42 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.245 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 76.0 p -131.85 42.86 3.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.979 0.418 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.7 tttt -88.7 -56.64 3.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.0 mp0 -77.41 -51.66 10.42 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.7 143.21 30.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.205 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -94.55 91.76 6.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.717 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.1 mt -115.75 111.14 34.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.128 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.72 89.47 3.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -57.53 -179.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.706 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.519 HG12 ' HB2' ' A' ' 38' ' ' ASN . 84.8 t -120.73 144.77 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.066 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 34' ' ' VAL . 48.4 mt-10 -37.42 156.26 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.805 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.517 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 14.0 mtt85 -66.29 -45.33 80.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -85.47 24.08 1.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.959 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.578 ' ND2' ' CD2' ' A' ' 174' ' ' TYR . 4.8 m120 -121.86 9.12 9.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.517 ' CE2' ' HA ' ' A' ' 36' ' ' ARG . 30.2 m-85 -86.6 6.94 28.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.586 ' CE1' ' HD2' ' A' ' 163' ' ' LYS . 5.4 p-80 -49.24 135.6 16.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.714 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.482 HG12 HD11 ' A' ' 126' ' ' ILE . 38.0 mt -75.29 115.89 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.218 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 45.9 m -66.22 95.29 0.29 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.202 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.637 HD12 HD11 ' A' ' 7' ' ' ILE . 5.2 tt -56.05 -50.58 70.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.014 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.604 ' HB3' HD11 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -155.1 119.03 4.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.835 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -71.83 136.92 47.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.82 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.581 ' CB ' HD11 ' A' ' 49' ' ' ILE . 12.2 mt -103.4 -65.2 1.02 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.838 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.87 -127.56 8.01 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.367 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.449 ' C ' HG13 ' A' ' 49' ' ' ILE . 3.1 tp10 -77.94 128.1 33.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.94 0.4 . . . . 0.0 110.764 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.967 HD12 ' HB3' ' A' ' 3' ' ' ALA . 13.3 mt -148.43 146.71 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.046 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.3 p -94.99 145.86 24.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -43.55 -33.25 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.049 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -69.87 -71.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -40.43 -35.27 0.42 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.055 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.511 ' HA ' HD13 ' A' ' 57' ' ' ILE . . . -41.58 -54.3 3.25 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.057 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -48.74 -36.44 16.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 110.823 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 57' ' ' ILE . 4.6 tp10 -58.7 -63.06 1.43 Allowed 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.946 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.823 HG13 HD21 ' A' ' 111' ' ' LEU . 4.0 mp -36.6 -59.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 178' ' ' ALA . 58.9 mttt -43.5 -58.78 2.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -47.67 -42.4 24.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.992 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.76 -54.01 41.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.276 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 53.8 mt -53.51 -41.85 66.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.112 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -51.86 -41.68 62.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -77.74 -48.61 16.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.871 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.566 HD12 HG12 ' A' ' 107' ' ' ILE . 8.0 mt -57.23 -62.19 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.03 0.443 . . . . 0.0 111.063 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.69 -15.2 0.43 Allowed 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -90.32 -51.06 5.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.042 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.534 ' HZ1' ' HE1' ' A' ' 68' ' ' TYR . 6.9 pttp -68.15 -9.5 47.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.534 ' HE1' ' HZ1' ' A' ' 67' ' ' LYS . 41.4 m-85 -110.37 155.1 22.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.027 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -99.06 178.76 4.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.058 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.474 ' CE ' ' HG2' ' A' ' 158' ' ' GLU . 6.6 ptmt -112.54 106.5 14.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.862 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.503 ' O ' HG23 ' A' ' 156' ' ' ILE . 63.4 t60 -99.42 173.7 6.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.019 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.448 ' CB ' HG12 ' A' ' 156' ' ' ILE . 0.4 OUTLIER -112.31 132.28 55.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.8 m -130.6 169.48 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.989 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.446 ' HB2' ' CD ' ' A' ' 95' ' ' GLU . 2.7 m120 -113.13 154.98 25.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.0 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.502 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.7 p -125.85 125.01 67.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.234 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.507 ' NE ' ' O ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -174.35 175.16 2.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.799 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.95 136.77 0.14 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.479 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.574 HG23 ' O ' ' A' ' 91' ' ' TRP . 68.3 mt -133.35 133.94 57.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.332 . . . . 0.0 111.191 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.61 172.85 16.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.563 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.6 m -140.06 156.16 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.778 0.323 . . . . 0.0 111.261 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.55 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 10.6 m-85 -138.36 152.34 71.17 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.568 0.699 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.4 Cg_endo -69.36 -28.57 6.04 Favored 'Cis proline' 0 CA--C 1.523 -0.04 0 C-N-CA 122.802 -1.749 . . . . 0.0 112.372 -0.138 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -158.37 161.19 29.03 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 121.664 0.745 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -47.77 -60.1 1.0 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.741 2.294 . . . . 0.0 112.304 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -39.89 -40.08 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.782 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -130.8 89.01 2.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.067 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 86.7 t -83.66 129.67 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.6 mmm-85 -125.25 -40.42 2.13 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.474 HG22 ' HG3' ' A' ' 130' ' ' ARG . 67.2 t -127.77 126.02 66.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.093 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 70.1 mt -93.68 130.53 42.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.574 ' O ' HG23 ' A' ' 78' ' ' ILE . 60.0 p-90 -146.04 146.06 30.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.979 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -94.81 167.03 11.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.254 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -129.18 155.1 20.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.588 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 89.6 t -117.54 146.12 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.909 0.385 . . . . 0.0 111.182 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.516 ' O ' ' C ' ' A' ' 96' ' ' ASN . 3.2 pt-20 -72.28 -175.6 1.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.077 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.516 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.6 OUTLIER -27.94 108.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.41 ' OD2' ' HB3' ' A' ' 124' ' ' ALA . 1.2 p30 -122.41 52.07 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 101' ' ' LYS . 43.5 mt-10 -51.98 -70.42 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.477 HD13 ' HE3' ' A' ' 102' ' ' LYS . 21.4 mm -36.92 -54.89 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.826 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.462 HG23 ' HG ' ' A' ' 43' ' ' LEU . 45.1 mt -58.31 -38.94 72.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.934 0.397 . . . . 0.0 111.096 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 98' ' ' GLU . 47.0 mtpt -67.04 -57.85 6.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.014 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.477 ' HE3' HD13 ' A' ' 99' ' ' ILE . 14.1 ptpt -52.17 -43.18 63.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.678 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.531 HG12 ' CG ' ' A' ' 68' ' ' TYR . 96.0 mt -67.15 -43.46 88.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.44 -38.93 66.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.0 tttt -67.09 -38.57 85.92 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.827 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.484 ' HG3' ' CE ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -67.37 -43.5 81.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.067 0.461 . . . . 0.0 110.983 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.616 HD13 ' CD1' ' A' ' 5' ' ' ILE . 32.3 mt -61.43 -42.49 94.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.172 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -76.06 -30.82 58.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.134 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.8 -51.53 68.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.642 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -64.13 -52.96 56.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.83 HD23 HD12 ' A' ' 114' ' ' LEU . 24.6 mt -51.03 -36.58 40.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.713 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.7 -35.42 0.48 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.194 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -47.59 48.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.754 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.83 HD12 HD23 ' A' ' 111' ' ' LEU . 27.9 mt -61.84 -7.79 4.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 106.79 56.61 0.63 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.546 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.539 ' CG ' ' HB3' ' A' ' 111' ' ' LEU . 11.6 m-85 -130.24 173.25 10.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.032 0.444 . . . . 0.0 110.913 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -126.69 137.76 53.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.961 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -109.64 141.8 41.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.987 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 120' ' ' GLY . 4.6 tp10 -99.25 122.79 42.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.075 0.464 . . . . 0.0 110.817 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 119' ' ' GLU . . . -37.81 -63.82 0.83 Allowed Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -99.59 129.18 45.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.889 0.376 . . . . 0.0 110.828 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.55 ' CZ ' ' O ' ' A' ' 43' ' ' LEU . 34.7 t80 -95.11 153.52 17.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.81 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 91.0 t -136.33 121.68 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.177 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.41 ' HB3' ' OD2' ' A' ' 97' ' ' ASP . . . -95.75 104.91 16.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.037 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.54 ' C ' HD12 ' A' ' 126' ' ' ILE . 5.4 p-80 -140.65 167.64 21.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.54 HD12 ' C ' ' A' ' 125' ' ' HIS . 4.4 mp -137.43 106.31 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.908 0.385 . . . . 0.0 111.052 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 93.2 m -63.53 109.4 1.63 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 65.3 mt -74.95 -37.14 62.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.12 0.486 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 172.41 170.19 35.94 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.504 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.474 ' HG3' HG22 ' A' ' 89' ' ' VAL . 2.3 mpp_? -110.09 147.46 33.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.701 0.286 . . . . 0.0 111.114 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.0 t -90.81 114.46 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.932 0.396 . . . . 0.0 111.19 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.407 ' N ' ' HD2' ' A' ' 132' ' ' LYS . 0.0 OUTLIER -82.23 -55.83 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.899 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -163.9 135.55 4.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.635 HG11 HD11 ' A' ' 140' ' ' LEU . 2.4 p -132.38 152.85 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.278 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 34.6 tttp -107.92 -46.09 3.85 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.765 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -89.52 101.46 14.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.984 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 138' ' ' LEU . 3.1 mmmm -67.35 -57.71 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.775 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 137' ' ' LYS . 40.7 mt -37.86 -51.15 1.3 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.039 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -46.37 -41.38 11.91 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.632 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.635 HD11 HG11 ' A' ' 134' ' ' VAL . 76.8 mt -56.07 -59.14 5.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.995 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.2 -58.36 6.19 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.12 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.6 mmt -44.47 -33.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.752 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -78.51 -54.18 6.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.963 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 148' ' ' ALA . 40.6 mt -39.57 -57.72 1.42 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.828 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm -40.17 -41.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -68.34 -40.5 81.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.044 0.45 . . . . 0.0 110.798 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.482 ' CD2' ' HB1' ' A' ' 20' ' ' ALA . 4.8 mp -108.83 30.94 6.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.959 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 144' ' ' LEU . . . -75.78 -49.83 16.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.094 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -133.07 25.69 4.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -56.47 132.21 50.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -76.74 130.4 37.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.009 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.502 ' HB2' HG13 ' A' ' 75' ' ' VAL . 18.7 m-85 -102.57 -37.18 8.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.846 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 138.87 -164.54 25.77 Favored Glycine 0 CA--C 1.512 -0.13 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.524 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.2 p -132.02 174.19 10.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.841 0.353 . . . . 0.0 110.981 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -175.37 144.17 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.671 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.503 HG23 ' O ' ' A' ' 71' ' ' HIS . 50.2 mt -99.03 126.39 52.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.964 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.821 HG22 HG21 ' A' ' 7' ' ' ILE . 53.4 t -71.93 92.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.139 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.507 ' HB3' HD12 ' A' ' 182' ' ' LEU . 3.6 mt-10 -93.91 -68.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.797 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.655 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -99.44 169.7 9.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.111 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 16.9 mt -140.49 154.2 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -146.98 135.96 22.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.007 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.759 HD12 ' O ' ' A' ' 4' ' ' PHE . 12.5 tp -94.22 132.63 38.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.586 ' HD2' ' CE1' ' A' ' 40' ' ' HIS . 10.6 mttm -117.73 144.13 45.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.436 ' HD3' HD21 ' A' ' 177' ' ' LEU . 11.6 pttm -111.62 145.53 39.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.066 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 28.8 t -125.33 124.67 42.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.134 0.492 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 66.3 m -137.38 105.35 5.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.005 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.44 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 23.7 mt -71.19 131.61 43.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 47.1 p -134.39 155.8 79.46 Favored Pre-proline 0 C--O 1.235 0.329 0 CA-C-O 121.498 0.666 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_exo -47.95 -33.08 19.3 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.745 2.297 . . . . 0.0 112.452 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -80.26 -24.51 40.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 149.98 172.12 19.06 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.379 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' PRO . . . . . 0.44 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 55.2 Cg_endo -69.6 132.03 22.72 Favored 'Trans proline' 0 CA--C 1.529 0.232 0 C-N-CA 122.832 2.355 . . . . 0.0 112.264 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 48.9 mm -99.18 130.28 48.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.019 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' TYR . . . . . 0.578 ' CD2' ' ND2' ' A' ' 38' ' ' ASN . 5.5 m-85 -136.22 118.94 16.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -156.16 145.22 20.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 14.5 m -74.75 134.38 41.86 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.436 HD21 ' HD3' ' A' ' 164' ' ' LYS . 20.5 mt -98.52 -32.48 11.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.43 ' HB1' ' CZ ' ' A' ' 180' ' ' PHE . . . -141.24 128.51 21.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.026 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 179' ' ' ARG . . . . . 0.405 ' NH2' ' HB2' ' A' ' 181' ' ' GLU . 0.0 OUTLIER -118.26 105.03 11.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.973 0.416 . . . . 0.0 110.849 -179.798 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.655 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 11.0 m-85 -101.62 98.04 8.39 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.744 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 181' ' ' GLU . . . . . 0.405 ' HB2' ' NH2' ' A' ' 179' ' ' ARG . 0.7 OUTLIER -100.2 135.73 41.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.507 HD12 ' HB3' ' A' ' 158' ' ' GLU . 25.5 mt -76.74 -65.93 0.88 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.905 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 3.0 t -170.82 177.1 3.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.704 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -103.13 136.5 42.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.006 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -133.84 -64.68 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -50.27 125.09 11.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -90.51 41.5 1.06 Allowed 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.682 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 56.72 37.13 28.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 40.76 43.46 1.67 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.774 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 3.7 t60 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.92 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.544 ' HE2' ' HB ' ' A' ' 49' ' ' ILE . 6.3 ptt? . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.802 0.334 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -87.07 71.34 10.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 1.05 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -69.74 140.57 53.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.584 ' O ' HD12 ' A' ' 162' ' ' LEU . 3.3 p90 -156.11 139.4 15.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.737 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.503 ' CG2' HD13 ' A' ' 162' ' ' LEU . 44.1 pt -93.33 144.07 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.09 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.598 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -141.25 161.37 38.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.853 HG21 HG22 ' A' ' 157' ' ' VAL . 52.9 mt -104.71 138.68 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.067 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -59.21 141.63 53.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.009 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 9' ' ' VAL . 11.4 m -123.37 89.58 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.93 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.4 t -41.34 162.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.649 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -46.52 -44.31 17.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.0 p -39.75 -33.24 0.18 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.755 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.445 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 76.5 t -95.48 -55.05 6.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.0 mtt180 -42.45 -63.79 0.71 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.732 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -35.82 69.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -58.76 -52.54 65.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.1 mt -63.47 -48.57 77.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -57.21 -40.81 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.019 0.437 . . . . 0.0 111.232 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.8 ttm-85 -48.7 -45.37 39.08 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.34 -49.01 71.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.251 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.432 ' OE1' ' CD1' ' A' ' 33' ' ' PHE . 23.3 mt-30 -45.43 -58.4 3.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.18 -42.59 2.1 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -74.15 -43.26 58.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.3 mt -53.09 -50.85 43.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.917 0.389 . . . . 0.0 111.005 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.95 151.76 0.02 OUTLIER Glycine 0 C--O 1.228 -0.242 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.46 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 90.7 p -115.57 41.5 2.49 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.018 0.437 . . . . 0.0 110.96 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -83.4 -59.76 2.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -76.62 -48.42 19.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.89 151.27 21.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.038 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -105.36 84.77 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.807 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.426 HG12 HG22 ' A' ' 131' ' ' VAL . 38.1 mt -108.79 134.35 51.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.079 0.466 . . . . 0.0 111.027 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -97.13 90.95 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.946 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.432 ' CD1' ' OE1' ' A' ' 21' ' ' GLN . 16.5 m-85 -60.67 174.86 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.74 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.582 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 40.6 t -123.41 148.64 27.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.06 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -41.0 159.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.837 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -44.93 68.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.992 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.1 22.48 0.96 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.997 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -125.11 9.09 8.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.582 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 20.9 m-85 -93.24 4.59 53.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.013 0.435 . . . . 0.0 110.959 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.598 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 2.9 p80 -46.79 123.0 4.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 66.1 mt -50.97 115.18 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.237 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.1 m -70.05 81.84 0.5 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.992 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -39.51 -57.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.526 ' HE3' HD23 ' A' ' 46' ' ' LEU . 29.0 tttp -151.73 141.36 21.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -93.41 139.62 30.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.81 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.526 HD23 ' HE3' ' A' ' 44' ' ' LYS . 8.7 mt -110.32 -63.37 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.965 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 106.11 -130.07 10.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.457 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -71.47 132.5 44.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.877 0.37 . . . . 0.0 110.769 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.05 HD12 ' HB3' ' A' ' 3' ' ' ALA . 35.5 mt -149.19 145.0 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.25 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' GLU . 19.1 p -88.03 135.99 33.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.131 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -39.53 -27.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.98 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' THR . 18.3 mt-10 -76.06 -62.16 1.69 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.41 -33.09 52.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.157 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -40.15 -39.66 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' A' ' 56' ' ' GLU . 7.7 pt-20 -71.08 -43.27 68.08 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 55' ' ' GLU . 0.7 OUTLIER -48.36 -38.09 18.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.94 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.637 HG13 HD21 ' A' ' 111' ' ' LEU . 1.8 mp -61.84 -40.61 87.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.186 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.593 ' HE3' HD23 ' A' ' 162' ' ' LEU . 4.6 mptt -61.41 -66.63 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.116 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 58' ' ' LYS . 58.6 mmtt -34.86 -51.34 0.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.038 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 90.3 mt -53.91 -51.99 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.44 -35.87 80.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.971 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 66' ' ' LYS . 5.9 tp10 -49.66 -31.08 10.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.126 0.488 . . . . 0.0 111.009 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 59' ' ' LYS . 1.4 mptp? -94.36 -46.89 6.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.699 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.84 HG21 HG23 ' A' ' 103' ' ' ILE . 46.3 mt -50.76 -48.94 27.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.158 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.443 ' HB2' HD12 ' A' ' 160' ' ' ILE . . . -60.73 -10.19 5.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -101.29 -52.63 3.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.822 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.408 ' CG ' ' HA ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -63.66 -9.41 13.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -116.49 156.54 26.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.998 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -107.03 -177.47 3.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.434 ' HB2' HG22 ' A' ' 156' ' ' ILE . 0.0 OUTLIER -115.1 106.25 13.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.612 ' CE1' ' CG1' ' A' ' 73' ' ' VAL . 0.6 OUTLIER -93.34 157.55 16.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.809 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -94.44 102.87 14.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.073 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.612 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 35.3 m -105.0 172.1 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.998 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -121.17 160.77 23.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.647 HG13 ' HB2' ' A' ' 152' ' ' PHE . 3.0 p -124.08 109.64 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.172 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.5 ttp85 -157.8 143.56 17.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.81 145.84 15.37 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.533 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 91' ' ' TRP . 43.2 mt -142.16 133.16 25.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-O 120.826 0.346 . . . . 0.0 111.098 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.446 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -113.98 166.38 12.14 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.56 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.3 m -134.56 166.79 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.109 0.481 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.544 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 13.4 m-85 -150.62 152.62 32.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.678 0.752 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.6 Cg_endo -69.7 -20.36 10.73 Favored 'Cis proline' 0 C--N 1.343 0.242 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.538 -0.172 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -166.41 161.62 12.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.555 0.693 . . . . 0.0 110.914 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -48.09 -62.72 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.213 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -38.49 -39.23 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -132.68 93.03 3.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.992 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.4 t -86.54 130.59 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.261 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -124.1 -36.49 2.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.012 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.48 HG22 ' CD ' ' A' ' 130' ' ' ARG . 89.2 t -133.62 123.02 44.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.045 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 63.9 mt -91.2 129.98 41.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.094 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.544 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 40.0 p-90 -145.01 143.96 30.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.885 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -94.38 167.48 11.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.44 155.72 18.3 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.623 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 87.8 t -111.0 145.03 17.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.746 0.307 . . . . 0.0 111.017 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.512 ' O ' ' C ' ' A' ' 96' ' ' ASN . 35.8 mt-10 -70.98 -176.57 1.4 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.801 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.512 ' C ' ' O ' ' A' ' 95' ' ' GLU . 13.7 p-10 -27.3 101.06 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.981 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.539 ' HB2' HD12 ' A' ' 100' ' ' ILE . 2.0 p30 -118.1 51.98 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.691 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -52.28 -70.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.714 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.438 ' HB ' ' CE1' ' A' ' 71' ' ' HIS . 43.8 mm -40.15 -61.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.178 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.539 HD12 ' HB2' ' A' ' 97' ' ' ASP . 75.9 mt -42.55 -40.62 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -63.65 -44.97 92.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.971 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -58.99 -57.39 13.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.84 HG23 HG21 ' A' ' 64' ' ' ILE . 81.2 mt -54.93 -37.47 41.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.47 -39.61 88.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.991 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -76.02 -34.22 59.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -69.93 -41.48 74.54 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.777 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.54 ' CD1' HG22 ' A' ' 103' ' ' ILE . 64.0 mt -60.46 -38.2 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 109' ' ' ASP . 21.9 t0 -79.22 -51.42 9.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.691 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 108' ' ' ASP . 1.9 t70 -34.17 -39.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.099 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -79.68 -52.98 7.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.673 HD23 HD12 ' A' ' 114' ' ' LEU . 49.8 mt -49.4 -45.97 46.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.839 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 111' ' ' LEU . . . -34.55 -35.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.981 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 111' ' ' LEU . 0.3 OUTLIER -74.02 -46.08 45.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.836 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.673 HD12 HD23 ' A' ' 111' ' ' LEU . 42.7 mt -63.25 -25.86 68.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.061 0.457 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 122.01 62.97 0.22 Allowed Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.435 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.461 ' CG ' ' HB3' ' A' ' 111' ' ' LEU . 37.2 m-85 -136.19 151.97 50.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.759 0.314 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 118' ' ' LYS . 20.3 tptt -87.89 146.98 25.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.799 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 117' ' ' LYS . 9.7 ttmt -115.07 138.79 50.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.04 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -99.88 123.38 44.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -43.19 -66.66 1.13 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -99.96 146.37 26.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.875 0.369 . . . . 0.0 111.008 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -99.94 149.49 23.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.68 121.07 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.176 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.19 105.81 17.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -141.02 165.12 28.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.925 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.55 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.1 mp -136.81 108.72 6.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.055 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 85.2 m -62.85 115.9 4.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.953 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 40.8 mt -79.67 -36.45 37.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.012 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -179.48 -174.49 45.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.472 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.48 ' CD ' HG22 ' A' ' 89' ' ' VAL . 3.9 mmm180 -121.53 137.11 54.87 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.799 0.333 . . . . 0.0 110.948 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.426 HG22 HG12 ' A' ' 31' ' ' ILE . 58.5 t -89.28 110.82 22.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.271 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.81 -56.69 3.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.811 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -155.07 135.06 12.95 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.404 HG11 HD21 ' A' ' 140' ' ' LEU . 2.6 p -139.75 147.93 23.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.283 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -107.35 -51.03 2.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -66.49 88.28 0.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.821 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -58.67 -62.05 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 63.6 mt -42.14 -43.58 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -47.51 -46.12 23.16 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.658 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.404 HD21 HG11 ' A' ' 134' ' ' VAL . 42.8 mt -45.98 -56.27 5.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.996 0.426 . . . . 0.0 111.078 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -73.52 -61.24 1.9 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.223 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 141' ' ' ALA . 13.6 mmt -37.12 -43.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.795 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -71.4 -58.28 3.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 37.0 mt -37.57 -59.76 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.004 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp -42.88 -53.33 4.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -56.2 -43.91 78.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.791 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.9 mp -95.05 33.27 1.54 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.747 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -98.88 -35.05 10.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.145 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 150' ' ' GLU . 2.3 m120 -112.18 -26.28 8.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 149' ' ' ASN . 8.5 tm-20 -35.94 106.47 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.81 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -67.04 146.93 53.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.72 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.647 ' HB2' HG13 ' A' ' 75' ' ' VAL . 36.7 m-85 -109.01 -36.61 6.03 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 140.19 -167.44 25.45 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 36.3 p -137.61 168.1 20.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.822 0.344 . . . . 0.0 110.986 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -171.94 160.67 5.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.804 0.335 . . . . 0.0 111.049 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.434 HG22 ' HB2' ' A' ' 70' ' ' LYS . 66.9 mt -110.65 125.07 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-O 120.986 0.422 . . . . 0.0 111.207 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.853 HG22 HG21 ' A' ' 7' ' ' ILE . 53.2 t -76.77 97.93 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.246 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.517 ' HB3' HD12 ' A' ' 182' ' ' LEU . 19.6 mt-10 -100.18 -63.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -93.81 165.98 12.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' ILE . . . . . 0.443 HD12 ' HB2' ' A' ' 65' ' ' ALA . 34.7 mt -126.43 142.46 42.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.28 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -122.28 153.64 38.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.078 0.466 . . . . 0.0 110.704 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.593 HD23 ' HE3' ' A' ' 58' ' ' LYS . 13.2 tp -143.38 134.3 25.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.957 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -140.06 156.51 46.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.047 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.647 ' HB3' HD11 ' A' ' 177' ' ' LEU . 3.3 pttp -113.58 143.08 45.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 5.9 m -120.72 120.13 34.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.163 0.506 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 97.8 m -135.27 102.42 5.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.07 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 167' ' ' LEU . 11.6 mt -68.35 134.69 50.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 46.4 p -137.76 155.29 75.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.556 0.693 . . . . 0.0 111.521 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -47.99 -31.56 16.15 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.302 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -80.08 -33.43 38.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 158.06 171.66 24.26 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.454 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.64 128.24 15.85 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.551 2.168 . . . . 0.0 112.316 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 46.5 mm -98.28 119.43 46.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.978 0.418 . . . . 0.0 111.129 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -128.79 113.27 15.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.499 ' CG ' ' HE3' ' A' ' 164' ' ' LYS . 4.1 pt-20 -144.67 148.99 34.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 3.5 m -76.6 144.72 39.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.184 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.647 HD11 ' HB3' ' A' ' 164' ' ' LYS . 61.8 mt -112.2 -35.51 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.549 ' HB2' ' CE ' ' A' ' 58' ' ' LYS . . . -147.31 133.29 19.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -135.96 109.45 7.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -111.95 97.86 6.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -100.23 125.83 46.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' A' ' 158' ' ' GLU . 10.2 mt -79.95 -63.07 1.5 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 96.9 p -131.63 154.87 48.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.024 0.44 . . . . 0.0 110.644 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 29.1 mp0 -50.73 -63.98 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.829 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -166.43 160.84 15.91 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.653 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -111.3 168.64 9.37 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -117.21 167.35 11.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.994 0.426 . . . . 0.0 110.883 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -174.83 150.87 1.32 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.725 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 52.7 t60 71.5 42.1 0.69 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 . . . . . 0 C--O 1.234 0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.812 -179.947 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 ptt? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.948 0.404 . . . . 0.0 110.719 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -91.64 70.01 5.76 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.958 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . . . -67.34 152.75 45.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.082 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.656 ' O ' HD12 ' A' ' 162' ' ' LEU . 19.8 p90 -168.73 140.84 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.629 HD11 ' HB3' ' A' ' 44' ' ' LYS . 30.9 pt -91.06 147.79 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.164 0.507 . . . . 0.0 111.049 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.59 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -146.31 169.04 19.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.041 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.111 HG21 HG22 ' A' ' 157' ' ' VAL . 63.0 mt -113.62 120.01 62.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.202 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -49.31 126.67 13.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 m -105.36 91.06 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.0 t -41.48 163.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' SER . 34.4 mm-40 -47.97 -44.94 30.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' GLU . 78.1 p -36.93 -46.94 0.67 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.635 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 84.4 t -83.11 -57.0 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -38.67 -63.87 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.25 -27.51 55.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.859 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -63.18 -55.9 21.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.468 ' HA ' ' CE1' ' A' ' 152' ' ' PHE . 72.0 mt -63.62 -47.92 79.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.725 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.715 HG21 ' HD3' ' A' ' 36' ' ' ARG . 87.0 t -55.71 -36.88 44.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.999 0.428 . . . . 0.0 111.186 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.5 ttm-85 -52.95 -46.0 67.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.804 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.478 ' HB1' HD21 ' A' ' 147' ' ' LEU . . . -65.05 -46.17 82.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.528 ' OE1' ' CD1' ' A' ' 33' ' ' PHE . 16.1 mt-30 -46.46 -58.02 4.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -42.03 -38.99 1.79 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.752 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -74.32 -31.09 62.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 21' ' ' GLN . 67.4 mt -70.4 -60.83 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.47 156.95 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.343 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.4 p -112.02 55.34 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.99 0.424 . . . . 0.0 111.032 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -84.65 -50.7 7.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.492 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 2.0 pm0 -99.35 -40.99 7.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.492 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -100.91 152.92 19.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.094 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -105.78 105.64 15.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.726 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.6 mt -133.14 130.24 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.173 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -99.62 100.66 11.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.528 ' CD1' ' OE1' ' A' ' 21' ' ' GLN . 20.8 m-85 -67.26 175.04 2.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.785 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.551 ' HB ' ' CE1' ' A' ' 39' ' ' PHE . 49.1 t -113.98 148.75 16.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.078 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -46.06 170.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.833 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.715 ' HD3' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -77.22 -41.8 39.87 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.935 -179.873 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -85.31 25.68 0.98 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.412 ' OD1' ' CD2' ' A' ' 174' ' ' TYR . 3.1 m-80 -131.96 12.13 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.792 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.551 ' CE1' ' HB ' ' A' ' 34' ' ' VAL . 17.3 m-85 -97.62 6.43 48.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.996 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.59 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 5.1 p80 -53.42 124.47 14.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 62.1 mt -55.47 118.15 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.216 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.5 m -71.45 87.21 0.87 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.181 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 tt -47.41 -54.19 11.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.629 ' HB3' HD11 ' A' ' 5' ' ' ILE . 1.3 tmtp? -152.81 121.32 6.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -77.97 131.61 37.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.603 ' CB ' HD11 ' A' ' 49' ' ' ILE . 12.7 mt -99.99 -65.78 0.94 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.765 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.87 -129.67 9.92 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.607 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.25 125.14 23.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.9 0.381 . . . . 0.0 110.979 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.958 ' CD1' ' HB3' ' A' ' 3' ' ' ALA . 38.4 mt -147.84 153.0 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.402 ' N ' HG22 ' A' ' 49' ' ' ILE . 61.8 p -102.2 146.33 28.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -48.78 -20.21 0.45 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -85.98 -69.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.536 ' OE1' HD22 ' A' ' 114' ' ' LEU . 15.3 mm-40 -42.88 -29.5 0.33 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.08 -52.0 22.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.16 -26.31 66.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 0.8 OUTLIER -64.53 -42.78 95.55 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.785 -179.813 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.94 HG13 HD21 ' A' ' 111' ' ' LEU . 2.5 mp -62.94 -45.21 99.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.265 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.459 ' CE ' ' HB2' ' A' ' 178' ' ' ALA . 50.9 mttp -44.99 -64.46 0.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.03 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 56' ' ' GLU . 14.9 ptmt -49.34 -44.74 44.84 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.899 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 57' ' ' ILE . 82.1 mt -55.36 -45.21 77.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 62' ' ' GLU . 41.9 mt -70.87 -56.58 5.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.791 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 61' ' ' LEU . 23.5 tp10 -36.3 -36.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.802 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -83.98 -51.49 7.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.839 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 80.1 mt -53.79 -57.23 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.361 . . . . 0.0 111.187 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.458 ' HB2' HD12 ' A' ' 160' ' ' ILE . . . -59.75 -9.06 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.122 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -97.65 -35.24 10.65 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.506 ' HG3' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -78.39 -17.6 56.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.981 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.509 ' CG ' HG12 ' A' ' 103' ' ' ILE . 50.4 m-85 -103.29 158.22 16.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -99.99 -178.74 3.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.034 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.571 ' HB2' HG22 ' A' ' 156' ' ' ILE . 0.0 OUTLIER -117.56 109.25 16.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.069 0.461 . . . . 0.0 111.052 179.691 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -98.34 137.53 36.92 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.771 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -74.3 99.92 3.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.815 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.9 m -99.13 175.59 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 75' ' ' VAL . 6.6 t-20 -127.8 163.32 24.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.055 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.479 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 1.5 p -126.93 116.0 43.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.317 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -158.41 149.56 20.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.862 -179.811 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.462 ' N ' ' HD3' ' A' ' 76' ' ' ARG . . . 92.2 144.4 13.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.308 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.597 HG23 ' O ' ' A' ' 91' ' ' TRP . 96.5 mt -140.02 141.69 33.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.794 0.33 . . . . 0.0 111.16 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.3 174.47 15.42 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.465 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.434 HG21 ' HA ' ' A' ' 84' ' ' PRO . 33.6 m -139.27 161.58 28.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.849 0.357 . . . . 0.0 111.049 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.705 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 12.0 m-85 -143.13 154.16 60.98 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 121.667 0.746 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.4 Cg_endo -69.61 -20.38 10.62 Favored 'Cis proline' 0 C--N 1.343 0.279 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.315 -0.114 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -165.52 160.42 13.86 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.538 0.685 . . . . 0.0 110.964 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.434 ' HA ' HG21 ' A' ' 80' ' ' VAL . 63.4 Cg_exo -47.8 -57.16 2.49 Favored 'Trans proline' 0 CA--C 1.526 0.09 0 C-N-CA 122.76 2.307 . . . . 0.0 112.395 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -41.34 -40.68 1.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.744 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -131.97 96.58 3.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.057 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.0 t -86.83 130.49 36.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -127.52 -35.26 2.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 94.2 t -135.39 122.13 34.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.067 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 64.3 mt -91.46 136.02 25.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.258 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.705 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 29.7 p-90 -150.89 141.13 22.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.038 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.74 166.84 12.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.014 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -126.35 159.49 20.67 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.382 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 90.4 t -109.8 147.47 14.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.869 0.366 . . . . 0.0 111.166 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.509 ' O ' ' C ' ' A' ' 96' ' ' ASN . 5.0 mm-40 -70.87 -176.53 1.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.509 ' C ' ' O ' ' A' ' 95' ' ' GLU . 3.9 t-20 -28.88 103.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.774 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.501 ' HB2' HD12 ' A' ' 100' ' ' ILE . 2.7 p30 -126.96 50.63 1.95 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.65 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -59.37 -50.03 75.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 42.7 mm -53.82 -40.44 43.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.204 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.501 HD12 ' HB2' ' A' ' 97' ' ' ASP . 55.3 mt -73.09 -15.05 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.136 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -85.87 -52.24 5.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.997 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -60.61 -35.19 75.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.022 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.509 HG12 ' CG ' ' A' ' 68' ' ' TYR . 86.4 mt -65.77 -49.24 78.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.047 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.426 ' CB ' ' CE2' ' A' ' 122' ' ' PHE . . . -55.62 -41.0 72.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.19 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -58.98 -35.56 73.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.776 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -72.86 -40.78 65.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 72.9 mt -66.18 -33.65 64.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.101 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.489 ' CG ' ' HZ2' ' A' ' 44' ' ' LYS . 20.2 t0 -82.13 -41.72 20.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.957 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -55.3 -27.93 50.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.718 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -85.14 -45.23 12.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 110.743 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.96 HD23 HD12 ' A' ' 114' ' ' LEU . 65.9 mt -62.96 -35.0 78.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -41.37 -34.26 0.5 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.036 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -73.74 -41.92 61.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.96 HD12 HD23 ' A' ' 111' ' ' LEU . 78.7 mt -63.18 -25.87 68.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 119.36 55.6 0.26 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.694 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 111' ' ' LEU . 78.4 m-85 -128.76 166.22 19.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.931 0.396 . . . . 0.0 110.905 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -85.45 150.54 24.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.811 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.76 115.23 24.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.817 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -88.89 116.3 27.07 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.47 -59.83 9.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.556 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -91.96 127.82 37.57 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.803 0.335 . . . . 0.0 110.822 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.426 ' CE2' ' CB ' ' A' ' 104' ' ' ALA . 11.2 t80 -98.95 142.76 30.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.026 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 84.4 t -143.33 131.89 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.66 110.6 23.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -144.66 161.12 39.96 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.829 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.548 ' N ' HD12 ' A' ' 126' ' ' ILE . 3.7 mp -134.55 100.21 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.052 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 86.6 m -54.29 118.91 4.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.939 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.408 ' O ' HG23 ' A' ' 34' ' ' VAL . 53.1 mt -80.8 -42.05 22.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 179.88 -171.4 42.9 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.545 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.447 ' HD2' ' N ' ' A' ' 130' ' ' ARG . 2.8 mpt_? -125.51 152.65 44.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.794 0.33 . . . . 0.0 110.975 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 88.7 t -101.51 121.66 52.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.291 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -92.53 -49.44 6.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 133' ' ' PHE . 4.7 p90 -163.06 139.38 7.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.696 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.4 p -139.23 148.74 23.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.983 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -104.14 -48.35 3.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.83 108.01 8.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -71.68 -65.59 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 32.3 mt -40.54 -44.83 2.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -45.31 -48.86 10.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.365 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 47.6 mt -45.97 -63.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.695 0.284 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -64.09 -62.92 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.241 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 141' ' ' ALA . 14.3 mmt -36.53 -45.31 0.49 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 146' ' ' GLU . 2.9 ttmm -68.23 -57.05 6.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.833 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 33.9 mt -37.87 -48.36 1.13 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.923 0.392 . . . . 0.0 110.986 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.46 ' HE3' ' N ' ' A' ' 145' ' ' LYS . 0.2 OUTLIER -56.41 -41.06 75.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.792 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.455 ' C ' HD12 ' A' ' 147' ' ' LEU . 7.8 mm-40 -63.68 -33.97 76.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.839 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.478 HD21 ' HB1' ' A' ' 20' ' ' ALA . 5.9 mp -112.03 38.55 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -98.72 -30.09 12.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.312 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 150' ' ' GLU . 2.3 m-80 -125.66 -13.27 6.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.675 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 149' ' ' ASN . 2.2 tt0 -37.55 131.05 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.944 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -84.17 144.93 28.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.468 ' CE1' ' HA ' ' A' ' 17' ' ' LEU . 37.6 m-85 -113.95 -33.87 5.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 133.91 -165.89 24.14 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.597 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 25.0 p -141.86 165.52 27.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.67 0.271 . . . . 0.0 110.954 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -168.25 173.47 7.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.571 HG22 ' HB2' ' A' ' 70' ' ' LYS . 56.3 mt -117.44 134.02 62.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 1.111 HG22 HG21 ' A' ' 7' ' ' ILE . 22.3 t -90.44 95.89 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.124 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.559 ' O ' HD11 ' A' ' 182' ' ' LEU . 11.0 mp0 -97.93 -70.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.81 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.431 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -89.31 171.2 9.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.184 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 160' ' ' ILE . . . . . 0.458 HD12 ' HB2' ' A' ' 65' ' ' ALA . 78.5 mt -132.42 141.78 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -122.03 117.59 26.72 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.82 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 4' ' ' PHE . 14.9 tp -96.24 122.64 39.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.791 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 61.6 mttt -124.77 151.87 44.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.797 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.64 ' HB3' HD11 ' A' ' 177' ' ' LEU . 12.6 pttt -118.37 154.63 32.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.932 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 8.7 t -126.8 134.78 50.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 62.6 m -138.9 105.57 5.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.115 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.416 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 23.0 mt -72.61 130.92 41.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 81.2 p -133.39 156.35 79.84 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-O 121.509 0.671 . . . . 0.0 111.188 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -48.26 -32.02 18.5 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.719 2.279 . . . . 0.0 112.287 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.31 -27.48 38.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.82 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 152.73 173.04 21.74 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' PRO . . . . . 0.416 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 53.0 Cg_endo -69.75 126.8 13.75 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.493 2.129 . . . . 0.0 112.386 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 7.7 mm -99.49 138.79 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.018 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' TYR . . . . . 0.412 ' CD2' ' OD1' ' A' ' 38' ' ' ASN . 5.6 m-85 -138.36 131.7 30.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.808 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -160.75 147.83 15.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.058 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 24.5 m -73.28 149.62 42.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.218 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.64 HD11 ' HB3' ' A' ' 164' ' ' LYS . 49.1 mt -107.45 -32.87 7.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.0 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.459 ' HB2' ' CE ' ' A' ' 58' ' ' LYS . . . -174.36 129.61 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.122 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.64 112.94 24.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.981 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.431 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 10.6 m-85 -96.26 97.57 9.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.763 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -100.18 153.83 18.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.559 HD11 ' O ' ' A' ' 158' ' ' GLU . 64.6 mt -104.12 -62.06 1.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 92.5 p -138.86 178.93 6.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.794 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -97.41 89.24 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -118.54 -58.24 1.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -81.79 100.78 9.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -91.93 98.49 11.61 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -144.69 143.23 30.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.941 0.4 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -53.36 102.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.833 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.005 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 47' ' ' GLY . 3.0 tpt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.622 0.248 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.434 ' CB ' ' O ' ' A' ' 165' ' ' SER . 11.6 ttp180 -72.56 66.25 0.7 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.761 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.463 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -63.97 155.0 32.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.136 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.566 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 17.8 p90 -175.03 128.56 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.851 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.813 HD11 ' HB3' ' A' ' 44' ' ' LYS . 16.6 pt -87.36 132.25 33.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -130.8 170.89 13.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.862 HG21 HG22 ' A' ' 157' ' ' VAL . 41.5 mt -110.51 122.04 64.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.025 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -50.0 133.5 22.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.886 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 9' ' ' VAL . 25.0 m -111.72 87.38 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 t -39.01 153.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 12' ' ' SER . 26.3 mt-10 -37.71 -50.1 1.18 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 11' ' ' GLU . 88.9 p -34.3 -44.99 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.79 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.487 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 90.4 t -89.36 -62.84 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.119 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.511 ' O ' HG23 ' A' ' 18' ' ' VAL . 16.5 ttm180 -34.86 -58.82 0.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -38.18 83.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.774 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -50.14 -67.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.8 mt -45.42 -41.58 9.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.995 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 14' ' ' ARG . 64.4 t -59.31 -43.7 90.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.043 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.2 ttm-85 -53.26 -41.67 65.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.25 -46.77 69.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.675 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 59.0 mt-30 -55.69 -50.37 70.46 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -49.8 -42.41 46.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.786 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -67.89 -33.46 74.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.7 mt -71.91 -68.83 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.21 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.8 164.46 3.43 Favored Glycine 0 C--O 1.229 -0.167 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.32 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.2 p -109.9 43.49 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 110.758 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -64.35 -62.69 1.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -96.46 -47.01 6.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.82 142.96 27.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.967 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -96.29 104.57 16.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.607 HG12 HG22 ' A' ' 131' ' ' VAL . 11.8 mt -129.62 118.75 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.041 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -88.07 87.34 7.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.98 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.675 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 17.2 m-85 -59.24 164.1 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.514 HG12 ' N ' ' A' ' 35' ' ' GLU . 57.5 t -100.28 158.78 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.201 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.514 ' N ' HG12 ' A' ' 34' ' ' VAL . 8.6 mm-40 -50.4 159.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.082 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -69.73 -45.54 67.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -83.56 23.37 0.96 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -126.36 9.36 7.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -86.34 9.26 18.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.965 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.486 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 6.2 p-80 -54.54 133.1 46.1 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.967 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.8 mt -69.72 120.37 17.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.35 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 84.0 m -71.95 105.55 3.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 43' ' ' LEU . 4.5 tt -74.33 -53.1 10.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.987 0.422 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.813 ' HB3' HD11 ' A' ' 5' ' ' ILE . 21.6 tptt -144.87 121.19 10.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -84.07 129.57 34.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.818 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.529 ' HB3' HD11 ' A' ' 49' ' ' ILE . 14.8 mt -108.04 -48.86 3.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.799 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 83.97 -137.35 15.93 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.35 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.426 ' CD ' ' N ' ' A' ' 49' ' ' ILE . 3.4 tm-20 -65.29 140.49 58.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.077 0.465 . . . . 0.0 110.814 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.529 HD11 ' HB3' ' A' ' 46' ' ' LEU . 12.9 mt -155.5 158.52 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.073 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.424 ' N ' HG22 ' A' ' 49' ' ' ILE . 72.6 p -98.42 148.58 23.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.108 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -52.33 -23.88 6.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.082 0.468 . . . . 0.0 111.117 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -81.42 -39.39 25.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.666 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -75.68 -33.09 60.36 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.801 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -42.63 -34.34 0.87 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.136 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -75.33 -38.45 60.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.877 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -54.21 -57.71 10.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.748 ' H ' HD12 ' A' ' 57' ' ' ILE . 4.0 mp -45.38 -45.93 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.201 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.81 ' HE3' ' HB2' ' A' ' 178' ' ' ALA . 60.6 mttp -53.14 -55.55 23.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.193 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.43 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 2.7 mptp? -45.62 -54.76 7.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.859 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.441 HG22 ' CD1' ' A' ' 64' ' ' ILE . 83.8 mt -51.59 -48.12 36.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.225 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 58' ' ' LYS . 26.7 mt -58.78 -47.78 83.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.073 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -52.68 -32.69 43.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.849 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -84.53 -60.29 2.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.465 HD12 HG12 ' A' ' 107' ' ' ILE . 61.5 mt -48.85 -60.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.088 0.471 . . . . 0.0 111.195 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.22 -13.38 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.053 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -96.57 -22.31 17.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.449 ' HG3' ' CD1' ' A' ' 68' ' ' TYR . 15.3 ptpt -90.28 -16.36 29.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.73 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.567 ' CE2' HG13 ' A' ' 103' ' ' ILE . 52.7 m-85 -103.1 168.7 9.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -112.33 -174.93 2.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.491 ' HB3' HG22 ' A' ' 156' ' ' ILE . 8.3 mptt -107.32 98.45 8.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.707 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.462 ' O ' HG23 ' A' ' 156' ' ' ILE . 21.3 t-80 -86.81 161.7 18.21 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.998 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -109.05 102.05 11.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 33.3 m -105.47 179.6 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.033 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -137.56 148.8 46.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.802 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.604 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.1 p -106.42 112.71 40.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.072 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.417 ' NE ' ' OE2' ' A' ' 95' ' ' GLU . 0.6 OUTLIER -156.88 152.59 26.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.1 139.99 5.53 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.633 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.495 HD11 ' HZ ' ' A' ' 152' ' ' PHE . 45.0 mt -134.24 134.67 55.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 0.0 111.068 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.463 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -115.01 156.61 15.55 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.618 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.481 HG11 HD21 ' A' ' 144' ' ' LEU . 34.6 m -126.48 161.28 32.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.75 0.309 . . . . 0.0 111.27 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.704 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 13.1 m-85 -143.55 154.04 59.33 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.775 0.798 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.0 Cg_endo -69.57 -25.3 8.01 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.341 -0.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -159.59 158.63 27.73 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.694 0.759 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.404 ' O ' HG23 ' A' ' 87' ' ' VAL . 61.7 Cg_exo -47.63 -61.74 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.648 2.232 . . . . 0.0 112.483 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -41.2 -33.97 0.42 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.758 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -134.51 88.32 2.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 84' ' ' PRO . 88.2 t -85.28 125.4 40.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -123.47 -28.73 3.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 98.2 t -137.43 116.48 14.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.983 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.466 HD12 HG21 ' A' ' 31' ' ' ILE . 74.0 mt -88.37 132.11 34.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.068 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.704 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 43.0 p-90 -149.06 140.98 23.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.79 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.08 162.94 15.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.78 142.74 14.49 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.55 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 92.3 t -97.9 148.34 5.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.826 0.346 . . . . 0.0 111.272 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 96' ' ' ASN . 13.6 mm-40 -70.83 -176.7 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.468 ' C ' ' O ' ' A' ' 95' ' ' GLU . 3.4 t30 -32.3 94.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 95' ' ' GLU . 9.9 p-10 -114.35 36.99 3.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.806 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -47.02 -55.2 8.61 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.8 mm -49.98 -45.86 22.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.419 HG22 ' O ' ' A' ' 100' ' ' ILE . 76.4 mt -72.44 -16.16 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.187 0.517 . . . . 0.0 111.195 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.53 ' HA ' ' CD2' ' A' ' 122' ' ' PHE . 0.6 OUTLIER -81.38 -57.45 3.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.935 179.745 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.451 ' N ' ' HD2' ' A' ' 101' ' ' LYS . 12.3 ptpt -56.87 -29.6 63.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.567 HG13 ' CE2' ' A' ' 68' ' ' TYR . 62.8 mt -72.79 -51.17 28.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.268 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.58 -38.06 59.25 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.403 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -73.04 -38.61 66.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -65.0 -42.18 94.73 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.774 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.465 HG12 HD12 ' A' ' 64' ' ' ILE . 43.4 mt -62.81 -38.95 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 111.156 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.516 ' HA ' HD12 ' A' ' 111' ' ' LEU . 33.5 t0 -74.17 -55.71 5.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 108' ' ' ASP . 0.4 OUTLIER -35.29 -41.69 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.814 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -75.07 -43.91 50.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.063 0.459 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.685 HD23 HD12 ' A' ' 114' ' ' LEU . 51.7 mt -56.18 -25.05 45.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -53.16 -34.15 55.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.98 0.419 . . . . 0.0 111.232 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -72.17 -48.35 43.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.685 HD12 HD23 ' A' ' 111' ' ' LEU . 12.7 mt -62.23 -8.07 5.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.047 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 100.85 56.42 0.9 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.487 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -130.83 167.0 19.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.981 0.42 . . . . 0.0 110.792 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -82.17 147.22 29.14 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.953 0.406 . . . . 0.0 110.956 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.498 ' HD3' ' N ' ' A' ' 119' ' ' GLU . 0.5 OUTLIER -100.4 125.4 46.66 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.975 179.758 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.498 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 52.3 mt-10 -99.89 95.92 7.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -51.54 -63.68 4.49 Favored Glycine 0 C--O 1.229 -0.201 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.474 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -100.07 119.57 38.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.923 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.53 ' CD2' ' HA ' ' A' ' 101' ' ' LYS . 19.2 t80 -96.55 137.21 35.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.5 t -131.28 118.52 40.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -81.93 99.94 9.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -137.96 160.22 39.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.621 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.0 mp -134.49 104.81 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.012 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 54.3 m -62.13 121.25 12.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.394 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 73.6 mt -85.72 -37.02 19.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.886 0.374 . . . . 0.0 110.748 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 173.41 164.19 28.26 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.485 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 77.6 mtt-85 -104.16 144.66 31.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 111.003 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.607 HG22 HG12 ' A' ' 31' ' ' ILE . 95.1 t -93.21 123.5 45.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.064 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -91.56 -58.2 2.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.827 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -156.13 138.64 14.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.404 ' CG2' ' N ' ' A' ' 135' ' ' LYS . 1.9 p -138.72 153.0 25.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.126 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.404 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 75.7 tttt -109.21 -43.12 4.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.941 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -84.78 119.22 25.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.67 -57.91 2.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 47.3 mt -39.08 -56.81 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.001 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -40.08 -51.73 3.45 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.735 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 46.0 mt -46.71 -64.78 0.68 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.806 0.336 . . . . 0.0 110.743 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -60.23 -57.66 11.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.415 ' C ' ' O ' ' A' ' 141' ' ' ALA . 7.3 mmt -36.91 -37.1 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.983 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 146' ' ' GLU . 21.1 mtmt -83.35 -53.3 5.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.816 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 63.1 mt -40.9 -34.49 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.009 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.89 -36.82 49.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.838 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 143' ' ' LYS . 73.6 mt-10 -70.78 -48.89 51.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.663 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.9 mp -86.48 14.92 6.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.816 ' HB2' ' O ' ' A' ' 144' ' ' LEU . . . -83.79 -27.48 28.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.202 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -120.32 -16.1 8.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.666 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -46.86 111.49 0.4 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.811 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -69.72 137.52 52.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.604 ' HB2' HG13 ' A' ' 75' ' ' VAL . 58.6 m-85 -102.12 -35.37 8.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 139.92 -177.12 20.79 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.483 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 30.1 p -138.25 169.4 17.85 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.799 0.333 . . . . 0.0 110.79 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -173.93 176.45 2.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.035 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.491 HG22 ' HB3' ' A' ' 70' ' ' LYS . 70.6 mt -118.55 130.8 72.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.862 HG22 HG21 ' A' ' 7' ' ' ILE . 99.3 t -84.57 96.72 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.448 ' HA ' ' CG ' ' A' ' 70' ' ' LYS . 12.5 mt-10 -100.11 -68.46 0.81 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.605 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -90.36 161.61 15.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.079 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 84.2 mt -119.69 148.76 22.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -127.82 127.11 42.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.734 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 178' ' ' ALA . 12.4 tp -108.27 115.87 30.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.805 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -113.96 162.21 16.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.479 ' CE ' ' HG2' ' A' ' 175' ' ' GLU . 0.2 OUTLIER -122.32 145.3 48.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.828 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' A' ' 2' ' ' ARG . 11.3 t -124.76 133.98 52.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.657 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 27.2 m -146.12 106.94 4.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.221 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 13.2 mt -75.43 134.78 40.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.029 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 21.6 p -139.7 155.45 71.45 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 121.698 0.761 . . . . 0.0 111.161 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -48.1 -32.02 17.72 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.478 2.119 . . . . 0.0 112.541 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -80.04 -23.96 41.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 146.98 172.86 17.67 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.467 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.63 131.9 22.4 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.734 2.289 . . . . 0.0 112.36 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 46.3 mm -109.02 143.43 19.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -137.78 121.29 17.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.479 ' HG2' ' CE ' ' A' ' 164' ' ' LYS . 10.9 pt-20 -138.08 143.28 40.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.782 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 6.4 m -79.96 143.41 34.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 67.5 mt -116.67 -41.34 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.81 ' HB2' ' HE3' ' A' ' 58' ' ' LYS . . . -143.46 142.36 31.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.198 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -145.03 108.43 4.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.043 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.605 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 4.7 m-85 -99.34 97.63 8.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.843 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 121.119 0.485 . . . . 0.0 110.837 -179.934 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ptt? . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.605 0.241 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -83.03 75.98 9.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.944 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -72.16 155.02 40.7 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.158 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.432 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 28.7 p90 -171.93 132.32 0.69 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.939 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.724 HD11 ' HB3' ' A' ' 44' ' ' LYS . 39.0 pt -90.26 142.44 12.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.4 ' CB ' ' HB2' ' A' ' 40' ' ' HIS . . . -139.86 168.53 19.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.167 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.937 HG21 HG22 ' A' ' 157' ' ' VAL . 44.1 mt -105.33 128.16 59.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.082 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -58.83 122.36 13.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.773 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 9' ' ' VAL . 35.3 m -104.78 90.93 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.237 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.5 t -39.46 160.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.973 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -45.45 -39.14 6.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.009 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.3 t -39.06 -45.77 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.428 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 70.3 t -78.89 -61.06 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' VAL . 68.9 mtt180 -36.4 -65.29 0.28 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -47.53 -43.54 25.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.751 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -57.67 -55.34 36.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.43 -50.87 71.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.534 HG21 ' HD3' ' A' ' 36' ' ' ARG . 85.6 t -53.47 -41.36 44.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.059 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -48.46 -45.4 36.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.703 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.71 -48.71 76.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.601 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 46.9 mt-30 -45.8 -57.7 4.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.792 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -41.7 -43.37 2.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.901 0.381 . . . . 0.0 111.099 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -73.17 -45.53 56.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.014 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.499 HG23 ' HD3' ' A' ' 143' ' ' LYS . 51.4 mt -53.33 -55.68 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.77 168.81 1.35 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.612 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.5 m -132.77 48.77 2.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.072 0.463 . . . . 0.0 110.827 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -84.99 -60.49 2.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.932 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -75.49 -48.66 21.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.982 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.52 155.31 17.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.044 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.522 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 2.2 tmtp? -104.49 84.93 2.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.753 HG12 HG22 ' A' ' 131' ' ' VAL . 24.2 mt -110.32 126.49 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.069 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -96.5 93.9 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.779 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.601 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 17.7 m-85 -61.35 176.08 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.008 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 35' ' ' GLU . 42.0 t -122.21 154.96 27.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.433 ' N ' HG12 ' A' ' 34' ' ' VAL . 6.0 mm-40 -45.44 165.95 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.719 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.534 ' HD3' HG21 ' A' ' 18' ' ' VAL . 11.0 mtm105 -76.61 -43.42 38.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.806 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -83.51 20.71 1.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.549 ' OD1' ' CD2' ' A' ' 174' ' ' TYR . 1.9 m-80 -117.84 -5.59 11.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.93 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -79.17 7.32 7.77 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.93 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.4 ' HB2' ' CB ' ' A' ' 6' ' ' ALA . 3.6 p-80 -43.08 110.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 64.9 mt -50.12 111.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.5 m -68.1 114.75 6.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.763 HD12 HD11 ' A' ' 7' ' ' ILE . 5.4 tt -86.12 -56.28 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.724 ' HB3' HD11 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -136.01 115.65 12.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -85.57 126.08 33.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.768 ' CB ' HD11 ' A' ' 49' ' ' ILE . 26.4 mt -100.55 -66.04 0.93 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.09 -127.88 9.39 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.622 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -65.5 125.1 24.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.955 0.407 . . . . 0.0 110.962 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.944 HD12 ' HB3' ' A' ' 3' ' ' ALA . 18.3 mt -150.83 147.06 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.982 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' GLU . 28.0 p -96.3 131.74 42.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.144 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -42.67 -23.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.805 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 50' ' ' THR . 7.4 pt-20 -79.44 -43.75 22.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.99 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.44 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 8.5 mm-40 -79.08 -20.26 49.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.066 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.403 ' HA ' HD13 ' A' ' 57' ' ' ILE . . . -52.17 -54.81 26.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -44.84 -36.55 3.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.454 ' OE1' ' C ' ' A' ' 56' ' ' GLU . 0.9 OUTLIER -59.13 -60.19 4.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.0 -179.836 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.768 ' H ' HD12 ' A' ' 57' ' ' ILE . 3.9 mp -44.29 -58.48 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.097 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 59' ' ' LYS . 48.5 mttt -40.62 -63.45 0.64 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' LYS . 6.6 mmpt? -37.03 -58.1 0.8 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.777 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.467 HG22 HD12 ' A' ' 64' ' ' ILE . 78.7 mt -45.43 -44.74 3.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.27 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.558 HD11 HG21 ' A' ' 5' ' ' ILE . 57.7 mt -65.06 -35.67 81.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.97 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -57.1 -44.62 83.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.688 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -73.99 -60.35 2.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.787 HG21 HG23 ' A' ' 103' ' ' ILE . 96.7 mt -48.76 -54.29 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.94 -13.26 1.03 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 66' ' ' LYS . 0.8 OUTLIER -102.69 -39.48 7.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.48 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 8.9 ptmt -67.56 -20.58 65.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.947 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -101.94 158.45 16.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -102.44 173.61 6.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -97.42 101.27 12.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.983 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.471 ' CB ' HG13 ' A' ' 99' ' ' ILE . 73.7 t60 -97.03 165.35 12.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -108.73 106.41 16.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.788 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.7 m -102.94 170.42 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.118 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.466 ' O ' HG13 ' A' ' 94' ' ' VAL . 2.7 m120 -116.59 161.04 19.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.772 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.0 p -128.25 110.42 21.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.048 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 18.3 ttt180 -159.04 146.71 17.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.955 0.407 . . . . 0.0 111.018 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.421 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 105.72 148.71 17.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.321 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 22.4 mt -142.46 131.92 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.347 . . . . 0.0 111.198 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -117.04 158.81 14.3 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.461 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.474 HG21 ' HA ' ' A' ' 84' ' ' PRO . 32.7 m -128.25 149.27 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.02 0.438 . . . . 0.0 111.052 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.58 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 10.5 m-85 -132.15 147.94 67.81 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.846 0.831 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 53.8 Cg_endo -69.8 -36.32 2.38 Favored 'Cis proline' 0 C--N 1.343 0.275 0 C-N-CA 122.773 -1.761 . . . . 0.0 112.299 -0.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.46 159.56 32.47 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.723 0.773 . . . . 0.0 110.806 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.474 ' HA ' HG21 ' A' ' 80' ' ' VAL . 65.2 Cg_exo -47.88 -53.96 5.87 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.606 2.204 . . . . 0.0 112.436 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -40.74 -42.24 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -133.44 80.57 1.88 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.06 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.8 t -71.46 132.27 33.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 20.4 mmm-85 -124.03 -42.41 2.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 71.9 t -129.88 125.24 60.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.287 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 57.2 mt -90.98 126.55 43.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.092 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.58 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 50.8 p-90 -140.91 140.59 34.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.009 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.69 166.63 12.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.003 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -127.31 152.54 18.78 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.658 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 74' ' ' ASN . 94.9 t -104.52 148.75 8.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.965 0.412 . . . . 0.0 111.201 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.477 ' O ' ' C ' ' A' ' 96' ' ' ASN . 68.8 mm-40 -71.34 -176.66 1.55 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.98 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.477 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.6 OUTLIER -32.02 95.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.969 0.414 . . . . 0.0 111.033 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 95' ' ' GLU . 1.2 p30 -109.26 37.18 2.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -38.04 -64.92 0.37 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.471 HG13 ' CB ' ' A' ' 71' ' ' HIS . 47.3 mm -43.82 -70.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.07 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 90.2 mt -45.12 -35.99 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -32.3 70.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.198 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 99' ' ' ILE . 1.4 mtpm? -69.29 -33.91 73.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.733 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.787 HG23 HG21 ' A' ' 64' ' ' ILE . 65.4 mt -75.89 -38.95 37.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.069 0.461 . . . . 0.0 111.238 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.46 -41.67 73.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 106' ' ' GLU . 14.5 pttp -78.01 -35.32 50.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.981 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.445 ' N ' ' HG3' ' A' ' 105' ' ' LYS . 3.2 tp10 -64.86 -42.09 95.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.61 ' CD1' HG22 ' A' ' 103' ' ' ILE . 55.6 mt -64.46 -39.93 87.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -71.23 -42.06 69.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -42.5 -28.86 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -95.05 -48.21 6.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.064 0.459 . . . . 0.0 110.911 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.528 HD23 HD12 ' A' ' 114' ' ' LEU . 72.2 mt -52.0 -45.31 64.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.198 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 111' ' ' LEU . . . -37.77 -38.18 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.26 -43.15 82.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.046 0.45 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.528 HD12 HD23 ' A' ' 111' ' ' LEU . 29.4 mt -66.65 -10.72 49.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 99.83 54.73 1.03 Allowed Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.279 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -121.96 151.69 40.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.962 0.411 . . . . 0.0 110.767 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 29.5 tttp -72.21 139.93 48.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -113.44 129.08 56.63 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -98.51 122.62 41.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.752 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -46.37 -69.08 0.9 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.565 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -98.98 139.15 35.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.897 0.379 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -97.73 135.52 39.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 73.4 t -134.62 116.84 22.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -84.92 104.78 15.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.536 ' C ' HD12 ' A' ' 126' ' ' ILE . 14.2 p-80 -133.05 169.1 17.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.622 ' N ' HD12 ' A' ' 126' ' ' ILE . 3.0 mp -139.95 114.57 7.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.173 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 79.7 m -68.59 112.18 5.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.058 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 49.5 mt -78.19 -39.22 41.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 178.08 176.45 46.06 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.553 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -118.35 146.37 44.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.996 0.427 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.753 HG22 HG12 ' A' ' 31' ' ' ILE . 90.1 t -95.68 122.92 47.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.265 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.1 -58.22 2.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.94 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.522 ' CE2' ' HG3' ' A' ' 30' ' ' LYS . 9.8 p90 -151.72 136.45 17.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 3.6 p -138.1 151.58 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.323 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -106.7 -47.45 3.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -76.71 105.09 7.57 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -70.8 -63.33 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.969 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 39.4 mt -44.69 -45.55 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.954 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -44.21 -41.6 6.45 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 69.8 mt -55.21 -62.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.92 0.391 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.41 -56.36 22.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.024 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.1 mmt -44.71 -36.25 3.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.765 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.499 ' HD3' HG23 ' A' ' 24' ' ' ILE . 13.6 ttmm -72.72 -58.62 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 63.3 mt -38.73 -54.6 1.57 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.769 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -49.11 -45.52 43.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.924 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -62.27 -39.34 92.58 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.6 mp -105.12 36.66 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.812 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -98.04 -35.44 10.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 150' ' ' GLU . 3.1 m120 -110.61 -26.44 9.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.799 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 149' ' ' ASN . 6.0 tm-20 -37.5 112.86 0.23 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.042 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -71.98 163.96 26.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -124.04 -36.06 2.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.774 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 136.18 -160.02 24.54 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.63 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 80.1 p -143.26 174.87 10.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 110.897 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -173.46 164.37 4.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.819 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 51.1 mt -114.35 127.51 71.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.225 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.937 HG22 HG21 ' A' ' 7' ' ' ILE . 86.6 t -74.19 96.48 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -93.18 -69.83 0.73 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -100.13 160.16 14.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 57.8 mt -115.29 141.88 30.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.418 ' OE1' ' N ' ' A' ' 162' ' ' LEU . 0.0 OUTLIER -120.81 138.44 54.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.418 ' N ' ' OE1' ' A' ' 161' ' ' GLU . 14.3 tp -120.06 115.6 24.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.976 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -114.77 159.76 20.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.848 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 177' ' ' LEU . 17.7 pttt -128.67 148.57 50.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.013 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 7.5 m -116.4 126.93 54.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.754 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 99.6 m -131.71 97.29 4.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.291 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 11.7 mt -66.29 133.29 50.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.996 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 33.5 p -136.2 155.88 77.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 121.665 0.745 . . . . 0.0 111.381 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -48.08 -32.84 19.47 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.562 2.175 . . . . 0.0 112.334 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -80.36 -28.74 37.96 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 153.78 173.88 23.38 Favored Glycine 0 C--N 1.329 0.148 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.53 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.45 126.68 13.81 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.593 2.195 . . . . 0.0 112.296 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 14.6 mm -98.31 132.23 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.306 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . 0.549 ' CD2' ' OD1' ' A' ' 38' ' ' ASN . 3.7 m-85 -127.2 130.26 49.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.762 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -160.78 162.88 32.52 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.537 HG21 ' HG3' ' A' ' 179' ' ' ARG . 15.8 m -90.47 153.09 20.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.258 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 164' ' ' LYS . 35.6 mt -120.49 -43.9 2.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -135.69 135.2 39.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.002 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' ARG . . . . . 0.537 ' HG3' HG21 ' A' ' 176' ' ' THR . 49.4 mtp180 -133.51 109.44 9.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.939 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -112.1 98.82 7.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.973 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.845 -179.837 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 47' ' ' GLY . 4.1 ptt? . . . . . 0 C--O 1.235 0.319 0 CA-C-O 120.689 0.28 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -84.42 81.94 8.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.979 0.419 . . . . 0.0 110.879 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.985 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -78.86 140.82 38.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.214 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.453 ' O ' HD12 ' A' ' 162' ' ' LEU . 21.8 p90 -163.69 128.44 2.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.958 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.598 HD11 ' HB3' ' A' ' 44' ' ' LYS . 38.1 pt -85.3 131.6 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.107 0.48 . . . . 0.0 111.062 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.551 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -127.7 165.98 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.797 HG21 HG22 ' A' ' 157' ' ' VAL . 76.2 mt -106.32 127.46 61.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.993 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -56.57 127.23 30.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.784 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 10' ' ' SER . 2.6 m -105.38 90.14 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.113 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 9' ' ' VAL . 17.7 m -37.78 154.72 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.693 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -45.36 -39.11 6.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.656 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 t -41.9 -37.12 1.22 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 16' ' ' ALA . 42.5 t -88.91 -59.83 2.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.454 ' O ' HG23 ' A' ' 18' ' ' VAL . 58.3 mtt180 -36.65 -57.82 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -56.86 -34.74 68.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.025 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 13' ' ' VAL . . . -60.64 -58.82 6.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.002 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.4 mt -55.51 -49.43 72.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.006 0.431 . . . . 0.0 111.051 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 14' ' ' ARG . 99.2 t -55.15 -38.94 48.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.972 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -52.42 -43.38 64.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.18 -48.0 59.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.476 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 47.4 mt-30 -46.4 -59.26 3.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.003 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -42.27 -43.49 3.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.988 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -69.88 -35.96 75.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.809 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.87 -58.34 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.16 145.43 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.446 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.7 p -112.31 48.09 1.02 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.839 0.352 . . . . 0.0 110.944 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -87.99 -58.29 2.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.942 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.88 -50.89 11.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.814 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.92 155.02 17.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.438 ' C ' ' HD2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -105.01 110.27 22.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.546 HG12 HG22 ' A' ' 131' ' ' VAL . 7.7 mt -132.99 129.45 57.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.17 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -93.08 85.96 5.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.866 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.476 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 17.8 m-85 -56.01 166.4 0.78 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.515 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 27.5 t -111.76 146.08 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.226 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -40.16 160.41 0.01 OUTLIER 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.082 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.476 ' N ' ' HD2' ' A' ' 36' ' ' ARG . 6.3 mpt_? -69.42 -45.64 68.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.05 17.9 1.48 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.733 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.469 ' HB2' HG12 ' A' ' 34' ' ' VAL . 2.2 m-80 -121.05 16.33 11.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.515 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 20.0 m-85 -96.33 8.24 44.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.942 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.551 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 3.9 p-80 -50.32 128.19 19.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.6 mt -65.9 115.41 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.283 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.8 m -66.78 100.09 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.224 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 43' ' ' LEU . 4.0 tt -68.69 -53.63 21.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.951 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.598 ' HB3' HD11 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -137.49 122.13 18.58 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -94.76 120.94 35.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.695 ' CB ' HD11 ' A' ' 49' ' ' ILE . 8.5 mt -103.19 -60.97 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 102.32 -124.82 8.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.332 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -69.2 130.48 42.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.839 0.352 . . . . 0.0 110.896 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.985 HD12 ' HB3' ' A' ' 3' ' ' ALA . 10.9 mt -155.62 143.01 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.098 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.6 p -93.34 146.54 23.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -52.13 -30.08 24.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -69.41 -34.24 74.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -88.03 -27.09 22.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.52 -59.83 3.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.064 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -46.27 -25.52 0.64 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.21 -55.7 6.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.957 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.623 HG13 HD21 ' A' ' 111' ' ' LEU . 2.9 mp -47.72 -60.13 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.446 ' HE3' ' HB2' ' A' ' 178' ' ' ALA . 23.0 mttp -39.02 -64.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.9 mtmm -38.65 -58.82 1.0 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.797 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 57' ' ' ILE . 71.9 mt -41.41 -50.66 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.007 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.439 HD21 HD13 ' A' ' 5' ' ' ILE . 15.2 mt -59.87 -50.33 74.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.028 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -40.43 -36.98 0.62 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.72 -53.16 5.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.062 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.404 ' HA ' ' CD ' ' A' ' 67' ' ' LYS . 60.0 mt -50.07 -55.51 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.389 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.45 -7.56 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.05 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -101.7 -37.51 8.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.988 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.404 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 4.1 pttp -82.79 -6.38 59.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.017 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.637 ' CD2' ' CG1' ' A' ' 103' ' ' ILE . 26.3 m-85 -110.48 160.89 16.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.811 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.92 170.43 7.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.795 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -113.52 111.33 21.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.06 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.667 ' O ' HG23 ' A' ' 156' ' ' ILE . 20.8 t60 -99.96 176.71 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.015 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -108.24 98.07 7.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.106 0.479 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 96' ' ' ASN . 16.3 m -96.52 177.94 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.018 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.428 ' CG ' ' HB3' ' A' ' 154' ' ' SER . 3.4 m120 -125.53 167.0 15.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.7 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.475 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.2 p -127.55 96.84 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.012 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -147.54 158.73 44.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.8 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.16 137.96 8.93 Favored Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.442 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.7 mt -139.35 137.77 40.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.06 0.457 . . . . 0.0 111.149 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.52 ' HA3' ' CZ2' ' A' ' 91' ' ' TRP . . . -123.13 162.75 16.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.392 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.514 HG11 HD21 ' A' ' 144' ' ' LEU . 35.3 m -132.02 155.79 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 111.143 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.528 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 11.9 m-85 -141.18 155.59 68.14 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.618 0.723 . . . . 0.0 110.947 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 52.8 Cg_endo -69.88 -22.19 9.88 Favored 'Cis proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.542 -1.857 . . . . 0.0 112.507 0.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.4 ' CG ' ' C ' ' A' ' 82' ' ' PRO . 0.6 OUTLIER -160.36 159.21 26.3 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.432 0.634 . . . . 0.0 111.114 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.473 ' HA ' HG21 ' A' ' 80' ' ' VAL . 68.2 Cg_exo -47.95 -62.96 0.36 Allowed 'Trans proline' 0 C--O 1.23 0.081 0 C-N-CA 122.78 2.32 . . . . 0.0 112.328 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -45.03 -33.66 2.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -128.17 92.03 3.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.731 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.3 t -86.02 130.85 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.172 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -128.4 -43.49 1.44 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.3 t -129.61 117.36 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.072 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 86.0 mt -88.09 128.41 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.055 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.52 ' CZ2' ' HA3' ' A' ' 79' ' ' GLY . 61.3 p-90 -140.6 147.99 40.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.021 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -97.88 166.89 11.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -125.81 154.91 18.88 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.506 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 74' ' ' ASN . 71.8 t -107.93 147.38 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 111.17 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.491 ' O ' ' C ' ' A' ' 96' ' ' ASN . 9.8 mt-10 -70.85 -176.35 1.32 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.491 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.8 p30 -29.14 94.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.008 0.432 . . . . 0.0 110.884 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 95' ' ' GLU . 1.0 OUTLIER -104.02 48.86 0.83 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.823 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -51.98 -57.32 9.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.63 HG22 HD12 ' A' ' 103' ' ' ILE . 29.7 mm -55.41 -63.05 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.169 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.2 mt -48.85 -19.51 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -85.09 -67.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.409 ' HB2' ' HZ2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -48.39 -20.25 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.926 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.637 ' CG1' ' CD2' ' A' ' 68' ' ' TYR . 60.8 mt -89.51 -42.88 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.39 -31.86 68.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.945 0.403 . . . . 0.0 111.053 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -74.32 -48.08 30.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -62.12 -41.58 98.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.598 ' CD1' HG22 ' A' ' 103' ' ' ILE . 62.1 mt -55.67 -40.01 58.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -80.26 -40.56 26.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -50.61 -27.99 7.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -89.35 -37.29 14.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 1.067 HD23 HD12 ' A' ' 114' ' ' LEU . 57.7 mt -68.73 -28.89 67.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.22 -31.74 6.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.062 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -76.69 -34.63 58.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.936 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 1.067 HD12 HD23 ' A' ' 111' ' ' LEU . 58.2 mt -69.41 -27.35 65.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.977 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 126.49 49.62 0.18 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.481 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -131.97 -176.74 4.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -130.36 144.59 51.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.742 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -113.11 128.35 56.46 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.787 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -99.83 99.55 10.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.976 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -38.67 -46.54 2.18 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.397 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -80.44 92.1 5.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -95.83 137.03 35.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 87.9 t -137.34 112.67 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.224 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.93 105.25 7.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.105 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -136.75 164.29 28.62 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.594 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.5 mp -134.93 105.14 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 69.6 m -59.94 115.13 3.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 40.7 mt -79.15 -33.39 44.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 170.71 179.31 41.94 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.351 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -121.17 144.96 48.3 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.952 0.406 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.546 HG22 HG12 ' A' ' 31' ' ' ILE . 69.8 t -92.31 130.69 41.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.245 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -99.44 -54.35 2.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.797 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.482 ' O ' ' CD1' ' A' ' 133' ' ' PHE . 6.9 p90 -153.57 133.37 13.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.79 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.58 HG21 HD21 ' A' ' 140' ' ' LEU . 2.3 p -133.0 157.56 43.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.047 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.48 ' N ' HG22 ' A' ' 134' ' ' VAL . 9.0 mtpm? -118.92 -41.47 2.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.993 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -78.45 97.27 5.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.69 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -63.17 -66.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 32.4 mt -43.82 -51.45 7.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.019 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -41.3 -48.28 4.56 Favored Glycine 0 CA--C 1.517 0.164 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.275 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.58 HD21 HG21 ' A' ' 134' ' ' VAL . 84.8 mt -43.92 -60.78 1.68 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.712 0.291 . . . . 0.0 110.854 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -68.38 -57.74 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.187 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 10.7 mmt -40.37 -39.04 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.765 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 146' ' ' GLU . 15.6 ttmt -69.51 -57.36 5.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.514 HD21 HG11 ' A' ' 80' ' ' VAL . 61.1 mt -40.05 -49.57 2.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -51.17 -38.53 52.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.016 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 143' ' ' LYS . 10.2 mm-40 -71.77 -33.86 68.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.003 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 3.3 mp -107.22 37.49 2.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.027 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -106.93 -33.71 7.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.243 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -113.26 -16.52 12.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.708 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -50.54 111.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.841 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.63 153.07 42.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.792 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.475 ' HB2' HG13 ' A' ' 75' ' ' VAL . 66.0 m-85 -113.82 -35.46 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 139.93 -164.16 26.15 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.593 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.428 ' HB3' ' CG ' ' A' ' 74' ' ' ASN . 54.1 p -143.58 172.25 13.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.599 0.238 . . . . 0.0 111.009 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -173.43 172.83 3.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.97 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.667 HG23 ' O ' ' A' ' 71' ' ' HIS . 34.1 mt -116.62 131.43 69.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.1 0.476 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.797 HG22 HG21 ' A' ' 7' ' ' ILE . 54.8 t -87.6 92.66 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.192 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -96.86 -70.51 0.71 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.935 0.398 . . . . 0.0 111.046 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.929 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -88.54 178.36 6.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.995 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 161' ' ' GLU . 92.5 mt -132.08 156.72 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.494 ' N ' HG22 ' A' ' 160' ' ' ILE . 47.6 tt0 -137.31 117.47 13.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.779 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.465 HD13 ' CG2' ' A' ' 5' ' ' ILE . 28.3 tp -100.24 128.08 46.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -121.17 160.1 24.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.008 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.516 ' HB2' HD11 ' A' ' 177' ' ' LEU . 18.8 ttpt -125.26 129.46 50.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.955 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.425 ' OG ' ' CZ ' ' A' ' 174' ' ' TYR . 1.6 m -105.46 128.9 53.8 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 85.2 m -134.13 99.93 4.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.261 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 172' ' ' PRO . 25.1 mt -70.26 133.19 46.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 36.4 p -137.87 157.06 73.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.486 0.66 . . . . 0.0 111.235 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -48.1 -31.77 17.13 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.549 2.166 . . . . 0.0 112.368 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -80.47 -24.58 39.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 148.59 173.39 19.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.588 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . 0.439 ' HA ' HD23 ' A' ' 167' ' ' LEU . 52.8 Cg_endo -69.85 126.49 13.31 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.611 2.207 . . . . 0.0 112.231 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 14.0 mm -99.62 139.52 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.181 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . 0.425 ' CZ ' ' OG ' ' A' ' 165' ' ' SER . 5.1 m-85 -133.92 121.22 21.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -146.54 140.61 26.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.686 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 11.9 m -71.98 153.96 41.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.239 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.516 HD11 ' HB2' ' A' ' 164' ' ' LYS . 39.7 mt -117.05 -44.72 2.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.46 ' HB1' ' CZ ' ' A' ' 180' ' ' PHE . . . -142.15 134.67 28.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.164 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' ARG . . . . . 0.438 ' NH1' ' HB3' ' A' ' 179' ' ' ARG . 11.8 mtp-105 -122.19 108.2 13.03 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.789 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.929 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 30.3 m-85 -111.29 99.46 8.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.955 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 120.655 0.264 . . . . 0.0 110.755 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -95.5 95.88 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.947 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.854 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -94.29 151.27 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.177 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -157.1 141.56 16.59 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.588 HD11 ' HB3' ' A' ' 44' ' ' LYS . 14.5 pt -94.63 116.18 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.328 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.47 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -112.2 162.69 15.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.22 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.841 HG21 HG22 ' A' ' 157' ' ' VAL . 67.3 mt -106.04 125.3 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.162 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.82 126.24 19.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.862 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 10' ' ' SER . 3.5 m -105.94 86.06 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 9' ' ' VAL . 23.0 t -36.05 151.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.886 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -41.21 -43.6 2.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.949 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.8 p -39.65 -46.82 1.89 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.818 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.5 t -77.79 -54.59 12.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.174 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.737 ' O ' HG23 ' A' ' 18' ' ' VAL . 52.1 mtt180 -41.79 -53.68 3.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -38.41 76.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.973 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.23 -67.41 0.38 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.319 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.6 mt -49.63 -42.38 44.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.737 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 14' ' ' ARG . 93.3 t -60.73 -37.02 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.4 ttm-85 -55.16 -40.51 70.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.21 -47.7 70.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.244 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.499 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 51.3 mt-30 -50.78 -58.19 6.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.023 0.44 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -43.4 -32.15 0.8 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.772 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -84.43 -39.2 19.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.864 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 21' ' ' GLN . 95.4 mt -53.25 -50.85 44.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.08 157.36 0.09 OUTLIER Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.397 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.6 p -126.32 41.41 3.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.021 0.439 . . . . 0.0 110.702 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -78.95 -61.48 2.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.062 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -77.59 -44.65 27.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.31 162.77 12.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.406 ' HG2' ' CE2' ' A' ' 133' ' ' PHE . 0.1 OUTLIER -119.85 92.2 3.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.811 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.568 HG12 HG22 ' A' ' 131' ' ' VAL . 40.9 mt -114.2 128.78 71.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.421 ' C ' ' HE3' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -90.85 84.52 5.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.75 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.499 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 13.0 m-85 -56.27 179.1 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.955 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.586 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 61.6 t -120.07 149.71 22.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.181 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -44.65 163.63 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -71.46 -43.94 65.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -83.61 23.93 0.91 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.792 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.406 ' HB2' HG12 ' A' ' 34' ' ' VAL . 2.4 m-80 -128.04 13.1 6.73 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.586 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 38.1 m-85 -96.07 5.18 51.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.811 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.47 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 2.1 p-80 -51.62 126.62 18.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.758 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 63.9 mt -57.31 123.08 7.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.313 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.1 m -76.56 88.84 3.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.983 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.416 HD23 ' C ' ' A' ' 43' ' ' LEU . 4.4 tt -45.86 -57.89 3.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.588 ' HB3' HD11 ' A' ' 5' ' ' ILE . 43.8 tttp -151.61 147.69 27.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.006 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -99.24 133.11 43.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.506 ' CB ' HD11 ' A' ' 49' ' ' ILE . 12.5 mt -103.9 -56.95 2.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.046 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.0 -135.32 12.12 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.414 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -67.77 130.11 41.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.876 0.37 . . . . 0.0 110.798 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.854 HD12 ' HB3' ' A' ' 3' ' ' ALA . 24.1 mt -145.27 146.71 19.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.234 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.2 p -92.85 138.34 31.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.092 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -39.91 -36.78 0.49 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -70.93 -51.71 24.34 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.059 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -58.77 -36.56 74.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -37.45 -57.11 0.95 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.054 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.521 ' CG ' ' N ' ' A' ' 56' ' ' GLU . 4.6 pt-20 -50.14 -49.49 51.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.779 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.521 ' N ' ' CG ' ' A' ' 55' ' ' GLU . 11.0 tp10 -42.37 -63.94 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.862 HG13 HD21 ' A' ' 111' ' ' LEU . 3.8 mp -43.77 -58.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.047 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -42.42 -65.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.007 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -41.06 -61.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.3 mt -38.6 -49.05 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 48.2 mt -59.95 -53.19 60.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.944 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -39.72 -37.46 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -80.99 -56.42 4.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.062 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 67' ' ' LYS . 69.7 mt -54.89 -64.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -46.14 -20.61 0.11 Allowed 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -94.9 -29.21 14.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.703 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -74.98 -16.2 60.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.881 -179.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.406 ' CD2' HG12 ' A' ' 103' ' ' ILE . 53.8 m-85 -105.91 160.76 15.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.758 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -102.85 -174.99 2.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.818 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.9 110.5 20.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.932 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.593 ' CD2' HG12 ' A' ' 99' ' ' ILE . 1.9 t60 -99.07 141.89 31.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.831 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -107.29 102.44 11.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.987 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.0 m -107.49 177.12 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.197 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 75' ' ' VAL . 32.3 t-20 -120.1 154.55 34.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.026 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 153' ' ' GLY . 1.9 p -119.82 108.78 24.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.092 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.3 ttp85 -160.31 158.47 29.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.064 0.459 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.35 148.12 19.55 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.544 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.459 HG23 ' O ' ' A' ' 91' ' ' TRP . 37.0 mt -141.79 145.21 24.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.868 0.366 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.55 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -123.03 171.91 15.8 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.42 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.409 HG21 ' HA ' ' A' ' 84' ' ' PRO . 26.8 m -139.8 164.39 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.783 0.325 . . . . 0.0 111.223 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.653 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 10.4 m-85 -149.81 154.31 37.26 Favored Pre-proline 0 C--O 1.234 0.28 0 CA-C-O 121.691 0.757 . . . . 0.0 110.696 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.1 Cg_endo -69.96 -20.16 11.11 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.552 -1.853 . . . . 0.0 112.389 0.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -163.38 160.33 18.09 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.461 0.648 . . . . 0.0 110.915 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.409 ' HA ' HG21 ' A' ' 80' ' ' VAL . 62.7 Cg_exo -48.15 -58.0 2.01 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.601 2.201 . . . . 0.0 112.404 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -43.78 -35.47 1.9 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.067 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -134.5 101.53 5.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.001 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 87.8 t -91.94 131.55 38.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.206 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -128.72 -33.28 2.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.978 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.6 t -136.04 119.3 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 70.0 mt -87.77 128.32 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.653 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 23.5 p-90 -145.24 144.9 31.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.938 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.82 167.15 11.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.88 152.41 17.21 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.621 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.3 t -103.61 144.62 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.701 0.286 . . . . 0.0 111.179 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.538 ' O ' ' C ' ' A' ' 96' ' ' ASN . 7.8 mm-40 -73.21 -175.97 2.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.784 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.538 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.4 p30 -25.79 105.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.996 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.33 52.83 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -57.51 -54.99 40.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.784 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.593 HG12 ' CD2' ' A' ' 71' ' ' HIS . 29.0 mm -64.48 -64.41 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.992 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 94.0 mt -38.07 -33.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.185 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -69.82 -54.84 11.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.103 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -46.16 -50.86 15.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.41 HG22 ' CD1' ' A' ' 107' ' ' ILE . 67.8 mt -60.74 -45.27 98.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.073 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.96 -35.79 75.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -75.86 -41.75 51.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -64.19 -45.59 87.68 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.766 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.41 ' CD1' HG22 ' A' ' 103' ' ' ILE . 62.4 mt -56.87 -33.38 41.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.217 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.435 ' C ' ' OD1' ' A' ' 108' ' ' ASP . 15.5 t0 -80.96 -57.22 3.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 108' ' ' ASP . 0.8 OUTLIER -36.36 -44.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.026 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -69.28 -55.54 10.21 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.862 HD21 HG13 ' A' ' 57' ' ' ILE . 27.4 mt -48.28 -37.27 15.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.073 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -46.79 -33.54 4.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -30.14 57.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.928 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.705 HD12 HD23 ' A' ' 111' ' ' LEU . 70.5 mt -75.26 -27.35 59.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 126.52 44.3 0.25 Allowed Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.413 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.566 ' CE1' HD22 ' A' ' 111' ' ' LEU . 60.5 m-85 -120.69 168.24 11.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.916 0.388 . . . . 0.0 110.875 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -80.68 156.1 26.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.487 ' HD3' ' N ' ' A' ' 119' ' ' GLU . 0.6 OUTLIER -100.6 125.36 46.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.647 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.487 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 39.6 mt-10 -99.39 93.97 6.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.736 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -50.99 -62.45 5.33 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.367 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -99.74 135.15 41.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.99 0.424 . . . . 0.0 110.817 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -92.01 153.09 19.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 84.5 t -139.31 129.85 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -115.6 95.65 5.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.077 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.417 ' CD2' ' C ' ' A' ' 125' ' ' HIS . 1.7 p-80 -138.54 167.61 21.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.732 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.581 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.3 mp -135.11 103.75 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.001 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 50.7 m -60.54 110.41 1.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.026 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 34' ' ' VAL . 47.0 mt -77.17 -42.12 38.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.061 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 179.49 -174.73 46.45 Favored Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.408 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -125.05 152.13 44.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.341 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.568 HG22 HG12 ' A' ' 31' ' ' ILE . 60.0 t -97.91 121.92 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.171 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -91.88 -59.11 2.2 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.406 ' CE2' ' HG2' ' A' ' 30' ' ' LYS . 24.8 p90 -150.38 135.43 17.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.015 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.418 HG21 HD21 ' A' ' 140' ' ' LEU . 2.3 p -138.6 150.78 23.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.366 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -110.03 -48.65 3.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -83.0 99.01 9.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 138' ' ' LEU . 36.5 mmtt -66.59 -61.23 2.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.801 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 137' ' ' LYS . 28.7 mt -35.5 -50.69 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.055 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -45.5 -49.92 10.97 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.813 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.418 HD21 HG21 ' A' ' 134' ' ' VAL . 23.5 mt -44.0 -58.59 2.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.702 0.287 . . . . 0.0 110.805 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 143' ' ' LYS . . . -67.05 -60.87 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.374 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 141' ' ' ALA . 5.6 mmt -38.21 -30.67 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 141' ' ' ALA . 1.3 ttmp? -79.29 -55.77 4.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.791 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 148' ' ' ALA . 73.8 mt -41.03 -51.64 3.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.058 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -51.88 -40.45 60.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.962 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -67.82 -46.82 70.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.776 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 6.7 mp -84.95 2.04 44.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 144' ' ' LEU . . . -70.92 -30.16 66.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 150' ' ' GLU . 73.1 m-20 -113.12 -27.08 8.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 149' ' ' ASN . 10.9 tp10 -37.18 107.04 0.05 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.21 158.46 35.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.753 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -121.45 -38.84 2.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . 0.561 ' O ' HG12 ' A' ' 75' ' ' VAL . . . 134.32 -169.69 22.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.486 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 25.4 p -134.18 164.86 26.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.977 0.418 . . . . 0.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -164.98 167.54 18.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.7 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 18.2 mt -112.51 123.31 68.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.841 HG22 HG21 ' A' ' 7' ' ' ILE . 64.2 t -83.41 97.44 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.066 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -99.08 -68.81 0.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.133 0.492 . . . . 0.0 110.796 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.404 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -83.13 173.34 11.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.126 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . 0.411 HG22 ' N ' ' A' ' 161' ' ' GLU . 70.4 mt -129.7 152.49 37.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.411 ' N ' HG22 ' A' ' 160' ' ' ILE . 8.8 tt0 -126.93 134.83 50.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.451 HD23 ' HB3' ' A' ' 178' ' ' ALA . 18.5 tp -123.38 118.12 26.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.931 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -121.45 163.76 18.25 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.747 ' HE2' HD21 ' A' ' 177' ' ' LEU . 8.3 ptpt -109.91 174.31 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.776 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 30.0 t -147.8 117.64 7.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.779 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 89.6 m -129.9 98.35 4.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.148 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 13.3 mt -70.18 134.85 48.51 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.19 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 30.4 p -139.48 154.63 71.72 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.487 0.66 . . . . 0.0 111.245 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -47.78 -33.19 18.61 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.845 2.364 . . . . 0.0 112.361 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -80.07 -27.28 39.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.727 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 152.34 169.84 18.17 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . 0.452 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 54.5 Cg_endo -69.75 131.88 22.16 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.515 2.143 . . . . 0.0 112.506 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 28.0 mm -103.87 134.89 43.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -125.09 135.73 52.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.784 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -158.43 138.85 12.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.67 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.515 HG21 ' CG ' ' A' ' 179' ' ' ARG . 7.2 m -71.76 147.05 47.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.096 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.747 HD21 ' HE2' ' A' ' 164' ' ' LYS . 28.1 mt -117.68 -39.47 3.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.044 0.449 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.451 ' HB3' HD23 ' A' ' 162' ' ' LEU . . . -146.54 137.48 24.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.108 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' ARG . . . . . 0.515 ' CG ' HG21 ' A' ' 176' ' ' THR . 32.2 mtm180 -136.08 108.87 7.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.049 0.452 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.404 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 35.6 m-85 -109.59 99.84 8.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.764 -179.851 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptt? . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.634 0.254 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -82.96 74.25 9.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.961 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -78.5 147.56 33.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.234 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -161.13 138.56 9.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.933 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.772 HD11 ' HB3' ' A' ' 44' ' ' LYS . 21.4 pt -90.28 132.47 34.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.189 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.56 165.13 25.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.998 0.427 . . . . 0.0 110.96 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.828 HG21 HG22 ' A' ' 157' ' ' VAL . 84.5 mt -111.02 118.29 57.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.064 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -45.24 139.5 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.986 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.79 90.58 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.941 0.4 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -38.06 157.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.03 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 13' ' ' VAL . 44.1 mt-10 -47.9 -48.68 31.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.861 0.362 . . . . 0.0 110.804 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 11' ' ' GLU . 24.6 p -34.56 -34.84 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.906 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 11' ' ' GLU . 93.4 t -89.83 -58.43 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.462 ' O ' HG23 ' A' ' 18' ' ' VAL . 78.3 mtt180 -38.82 -58.73 1.04 Allowed 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -49.48 -46.05 47.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.735 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.06 -66.16 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.1 mt -49.03 -50.98 33.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.118 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 14' ' ' ARG . 95.5 t -59.94 -38.69 77.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.159 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.438 ' NH1' ' HB3' ' A' ' 19' ' ' ARG . 4.6 mtp-105 -57.84 -32.42 67.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.831 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.33 -47.88 25.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.105 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.702 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 52.3 mt-30 -50.13 -56.0 12.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -42.38 -37.99 1.73 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.669 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -75.79 -31.73 59.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.05 0.452 . . . . 0.0 111.06 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.467 HD11 ' CD2' ' A' ' 147' ' ' LEU . 83.6 mt -72.02 -52.19 26.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.029 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.48 169.07 0.13 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.594 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.2 p -125.07 50.91 1.71 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.875 0.369 . . . . 0.0 110.765 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.58 -62.46 1.64 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.751 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -79.31 -48.45 14.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.711 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.17 151.33 21.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.515 ' HG2' ' CZ ' ' A' ' 133' ' ' PHE . 9.5 tptm -105.96 87.54 2.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.803 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.79 HG12 HG22 ' A' ' 131' ' ' VAL . 21.7 mt -104.97 124.89 59.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.212 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -83.34 81.74 8.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.008 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.702 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 13.2 m-85 -58.48 172.3 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.599 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 62.1 t -109.39 147.63 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.278 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -50.74 176.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.084 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.56 ' HA ' ' CD2' ' A' ' 39' ' ' PHE . 40.6 mtt180 -84.34 -43.01 15.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.8 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -81.59 17.44 1.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.751 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -131.84 13.09 4.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.767 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.599 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 11.3 m-85 -85.65 5.69 30.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.845 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -52.98 149.94 6.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.796 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.1 mt -87.45 120.7 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.192 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.0 m -68.36 110.66 4.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.222 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 43' ' ' LEU . 4.4 tt -71.76 -46.28 58.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.772 ' HB3' HD11 ' A' ' 5' ' ' ILE . 6.2 tmtm? -162.4 114.45 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.079 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -70.76 132.67 45.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.82 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.634 HD23 ' HE3' ' A' ' 44' ' ' LYS . 16.1 mt -102.03 -61.2 1.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.03 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.43 -130.89 10.4 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.493 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -72.75 133.66 44.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.361 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.961 HD12 ' HB3' ' A' ' 3' ' ' ALA . 7.5 mt -152.37 144.59 15.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.9 p -95.08 147.13 23.75 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -50.81 -19.36 0.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.0 -33.37 39.37 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' GLU . 30.7 mm-40 -87.21 -34.19 19.07 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.02 -43.46 0.73 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -68.23 -40.67 81.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' GLN . 34.9 mm-40 -50.91 -38.38 49.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.808 HG13 HD21 ' A' ' 111' ' ' LEU . 2.6 mp -69.2 -53.76 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.065 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.602 ' HE3' ' HB2' ' A' ' 178' ' ' ALA . 41.1 mttp -47.61 -42.11 23.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -67.33 -64.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.697 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.6 mt -40.36 -45.55 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.113 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.8 mt -59.87 -45.89 91.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -48.47 -43.66 34.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.869 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -71.44 -44.94 63.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.017 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 66' ' ' LYS . 84.2 mt -66.22 -71.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -42.5 -23.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.013 0.435 . . . . 0.0 111.153 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 64' ' ' ILE . 18.1 ttpp -80.28 -50.73 9.81 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.765 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.588 ' HG3' ' CD1' ' A' ' 68' ' ' TYR . 5.5 ptpp? -60.69 -15.72 31.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.852 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.588 ' CD1' ' HG3' ' A' ' 67' ' ' LYS . 67.3 m-85 -104.91 173.11 6.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.172 0.51 . . . . 0.0 110.714 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -127.17 178.75 5.82 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 7.9 ptpt -90.18 113.43 25.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -96.3 152.98 18.08 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -99.44 100.33 11.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 31.1 m -108.9 172.8 2.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.132 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.46 ' CG ' ' N ' ' A' ' 75' ' ' VAL . 6.7 t-20 -122.84 167.19 13.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.001 0.429 . . . . 0.0 110.932 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.46 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 2.3 p -129.81 115.0 32.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.231 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -166.16 146.69 6.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.977 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.02 133.29 7.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.677 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.478 HG23 ' O ' ' A' ' 91' ' ' TRP . 33.6 mt -126.64 141.4 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.907 0.384 . . . . 0.0 111.164 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -118.68 153.14 17.11 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.611 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.428 HG21 ' HA ' ' A' ' 84' ' ' PRO . 33.2 m -128.25 154.83 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.958 0.408 . . . . 0.0 111.227 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.535 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 12.5 m-85 -141.18 154.3 67.58 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.51 0.671 . . . . 0.0 111.075 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.3 Cg_endo -69.82 -23.62 9.02 Favored 'Cis proline' 0 C--N 1.34 0.121 0 C-N-CA 122.611 -1.829 . . . . 0.0 112.402 0.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.55 160.82 25.74 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.537 0.684 . . . . 0.0 110.947 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.428 ' HA ' HG21 ' A' ' 80' ' ' VAL . 59.0 Cg_exo -47.68 -63.59 0.31 Allowed 'Trans proline' 0 N--CA 1.464 -0.21 0 C-N-CA 122.664 2.243 . . . . 0.0 112.445 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -41.06 -35.97 0.63 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -130.24 90.14 2.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 1.029 HG21 HD11 ' A' ' 144' ' ' LEU . 76.7 t -85.83 131.2 35.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.153 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -127.07 -39.42 1.93 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.024 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.48 HG22 ' HB3' ' A' ' 130' ' ' ARG . 53.1 t -130.13 115.91 34.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 82.4 mt -90.09 125.35 42.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.157 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.504 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 37.3 p-90 -138.94 145.96 40.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.973 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.58 163.07 13.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.14 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.49 143.17 14.55 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.623 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 95.2 t -100.72 149.87 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.86 0.362 . . . . 0.0 111.179 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.544 ' O ' ' C ' ' A' ' 96' ' ' ASN . 18.4 mt-10 -71.28 -176.11 1.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.739 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.544 ' C ' ' O ' ' A' ' 95' ' ' GLU . 20.4 p-10 -26.12 115.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.089 0.471 . . . . 0.0 110.641 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 98' ' ' GLU . 12.2 m-20 -120.9 26.72 8.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.823 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 97' ' ' ASP . 7.2 mt-10 -36.71 -64.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.1 mm -55.11 -51.23 56.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.886 0.374 . . . . 0.0 111.085 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 80.9 mt -58.72 -23.12 22.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.014 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -79.65 -67.32 0.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.782 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -44.33 -30.71 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.8 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.489 HG22 HD12 ' A' ' 107' ' ' ILE . 57.6 mt -76.39 -38.78 33.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.65 -37.59 88.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -35.47 72.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -73.51 -38.95 65.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.489 HD12 HG22 ' A' ' 103' ' ' ILE . 64.5 mt -66.31 -37.83 80.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -85.04 -26.88 26.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.91 -40.59 96.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.946 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -73.23 -50.02 24.7 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.025 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 1.106 HD23 HD12 ' A' ' 114' ' ' LEU . 36.6 mt -55.48 -31.08 61.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -45.56 -25.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.047 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.36 -37.01 28.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.988 0.423 . . . . 0.0 110.818 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 1.106 HD12 HD23 ' A' ' 111' ' ' LEU . 82.4 mt -68.31 -25.3 65.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 128.3 50.76 0.14 Allowed Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.299 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -133.47 -175.65 3.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.0 0.429 . . . . 0.0 110.812 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -133.76 144.63 49.17 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.954 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -109.95 143.13 40.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.964 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -99.5 110.27 22.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -38.89 -55.67 2.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.416 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -99.52 117.54 34.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.626 0.25 . . . . 0.0 110.996 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -98.03 148.29 23.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.912 0.387 . . . . 0.0 111.04 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 56.5 t -142.05 113.15 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.09 112.82 16.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -147.78 165.68 29.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.611 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.1 mp -134.89 105.87 6.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.975 0.417 . . . . 0.0 111.108 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 67.4 m -62.46 104.98 0.56 Allowed 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 33.9 mt -73.12 -35.72 66.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.968 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 164.42 134.08 1.59 Allowed Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.489 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.48 ' HB3' HG22 ' A' ' 89' ' ' VAL . 10.3 ptt85 -93.75 141.38 28.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.684 0.278 . . . . 0.0 110.905 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.79 HG22 HG12 ' A' ' 31' ' ' ILE . 62.8 t -70.52 152.27 8.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -119.36 -48.51 2.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.515 ' CZ ' ' HG2' ' A' ' 30' ' ' LYS . 30.4 p90 -163.94 115.99 1.38 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.517 HG22 ' N ' ' A' ' 135' ' ' LYS . 2.9 p -123.18 158.16 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.517 ' N ' HG22 ' A' ' 134' ' ' VAL . 1.6 mptp? -105.7 -36.05 7.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.777 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -95.64 111.37 23.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -72.89 -61.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.423 ' C ' ' HG3' ' A' ' 142' ' ' MET . 21.1 mt -40.2 -57.77 1.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 138' ' ' LEU . . . -38.05 -36.0 0.31 Allowed Glycine 0 C--O 1.229 -0.171 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.546 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 67.6 mt -58.0 -47.43 83.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.8 0.333 . . . . 0.0 110.998 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 143' ' ' LYS . . . -83.11 -54.74 4.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.423 ' HG3' ' C ' ' A' ' 138' ' ' LEU . 2.5 mtt -40.12 -25.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.725 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 141' ' ' ALA . 19.2 ttmm -91.42 -58.08 2.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 1.029 HD11 HG21 ' A' ' 87' ' ' VAL . 51.4 mt -36.99 -43.46 0.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.746 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -55.42 -47.43 75.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.002 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 143' ' ' LYS . 5.4 mm-40 -61.32 -42.74 99.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.75 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.467 ' CD2' HD11 ' A' ' 24' ' ' ILE . 7.5 mp -98.01 33.74 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.951 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -96.93 -39.21 9.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.054 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 150' ' ' GLU . 3.1 m120 -109.11 -21.62 12.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 149' ' ' ASN . 8.4 tm-20 -38.14 123.43 1.12 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.802 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -79.21 156.67 28.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -120.39 -35.76 3.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.125 0.488 . . . . 0.0 110.718 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 133.07 -163.82 24.23 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.41 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.8 p -140.55 174.7 10.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.736 0.303 . . . . 0.0 111.033 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -174.3 165.16 4.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.758 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 75.6 mt -114.27 130.49 68.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.031 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.828 HG22 HG21 ' A' ' 7' ' ' ILE . 45.1 t -86.59 100.36 9.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.207 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -91.74 -69.03 0.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.016 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.911 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -97.1 -175.02 3.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 161' ' ' GLU . 60.4 mt -131.24 156.47 42.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.481 ' N ' HG22 ' A' ' 160' ' ' ILE . 5.2 tt0 -134.0 128.28 34.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.735 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 15.2 tp -110.82 121.43 45.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -114.22 162.02 17.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.462 ' HB2' ' CD1' ' A' ' 177' ' ' LEU . 13.0 ttpt -130.37 141.88 50.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.401 ' N ' ' HG2' ' A' ' 164' ' ' LYS . 4.2 t -115.89 132.12 56.74 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.76 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 44.2 m -130.64 98.27 4.6 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 15.2 mt -68.0 133.74 49.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 30.0 p -138.28 155.24 74.19 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.435 0.636 . . . . 0.0 111.29 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -47.95 -32.56 18.16 Favored 'Trans proline' 0 N--CA 1.467 -0.083 0 C-N-CA 122.766 2.31 . . . . 0.0 112.256 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -80.2 -28.12 38.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 153.36 171.4 20.55 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.626 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.86 128.52 16.05 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.718 2.279 . . . . 0.0 112.207 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 37.6 mm -105.91 136.76 38.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.157 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -125.6 136.51 53.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -159.41 152.08 21.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.072 0.463 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.493 HG21 ' HG3' ' A' ' 179' ' ' ARG . 15.2 m -82.78 144.23 30.3 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.407 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 164' ' ' LYS . 21.5 mt -109.49 -40.31 4.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.083 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.602 ' HB2' ' HE3' ' A' ' 58' ' ' LYS . . . -155.47 138.54 15.51 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' ARG . . . . . 0.493 ' HG3' HG21 ' A' ' 176' ' ' THR . 14.9 mtp-105 -130.7 111.55 12.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.778 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.911 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 47.0 m-85 -98.64 99.63 10.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.842 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.405 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 120.914 0.388 . . . . 0.0 110.804 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 46.0 mtm-85 -94.79 90.16 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.743 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -90.89 146.74 23.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.455 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 17.5 p90 -159.28 138.3 11.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.694 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.71 HD11 ' HB3' ' A' ' 44' ' ' LYS . 19.0 pt -93.38 126.96 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.84 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -123.4 167.0 14.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.111 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.759 HG21 HG22 ' A' ' 157' ' ' VAL . 57.6 mt -110.45 129.53 65.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.256 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.31 131.87 38.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.611 HG23 ' HG3' ' A' ' 14' ' ' ARG . 10.7 m -106.74 87.51 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.137 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 9' ' ' VAL . 86.2 p -36.88 153.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.822 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.73 -33.71 1.97 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.021 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.8 p -49.62 -38.35 31.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.006 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.545 HG22 HG11 ' A' ' 75' ' ' VAL . 92.5 t -89.6 -51.14 12.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.195 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.611 ' HG3' HG23 ' A' ' 9' ' ' VAL . 67.1 mtt180 -44.48 -60.02 2.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.692 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -62.47 -34.99 77.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.32 -59.92 4.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.012 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.4 mt -58.12 -49.9 75.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 14' ' ' ARG . 99.5 t -53.89 -42.03 51.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.057 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -50.35 -43.78 54.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.768 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.43 ' HB1' HD21 ' A' ' 147' ' ' LEU . . . -66.32 -51.82 53.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.03 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.44 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 53.7 mt-30 -41.64 -62.07 0.96 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' GLN . 30.5 t0 -38.21 -41.48 0.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -73.93 -41.71 61.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.99 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.583 HG23 ' HD3' ' A' ' 143' ' ' LYS . 49.8 mt -55.97 -59.98 2.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.58 151.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.4 p -111.27 49.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.933 0.397 . . . . 0.0 110.898 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -71.79 -66.08 0.68 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.725 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 1.3 pm0 -82.01 -38.26 25.32 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.436 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -99.75 154.99 17.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.198 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.528 ' HG2' ' CE2' ' A' ' 133' ' ' PHE . 26.5 tptp -111.98 85.55 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.663 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.7 mt -107.62 126.21 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.103 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.85 95.44 10.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.921 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.44 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 19.1 m-85 -66.47 164.14 17.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.558 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 17.5 t -111.26 150.15 13.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.098 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -41.8 164.38 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.747 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -75.53 -44.62 42.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -79.6 12.38 2.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.795 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.437 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 1.9 m-80 -112.42 1.29 15.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.017 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.558 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 28.3 m-85 -88.12 9.26 23.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.494 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 2.1 p-80 -53.05 110.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.6 mt -40.64 120.73 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.247 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.7 m -75.73 103.09 5.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.074 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -64.82 -53.18 50.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.71 ' HB3' HD11 ' A' ' 5' ' ' ILE . 21.0 tttm -153.64 145.92 23.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.449 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 49.0 t80 -98.69 140.16 33.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.784 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.496 ' CB ' HD11 ' A' ' 49' ' ' ILE . 7.3 mt -112.52 -62.76 1.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.748 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 102.48 -138.39 13.9 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.555 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.21 132.25 48.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.9 0.381 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.743 HD12 ' HB3' ' A' ' 3' ' ' ALA . 24.0 mt -149.51 147.49 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 51' ' ' GLU . 41.5 p -89.73 131.93 35.45 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' THR . 22.4 tt0 -34.41 -39.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -69.73 -68.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.543 ' O ' HD12 ' A' ' 57' ' ' ILE . 30.8 mm-40 -39.08 -36.76 0.32 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.143 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.438 ' HA ' HD13 ' A' ' 57' ' ' ILE . . . -40.95 -61.05 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.025 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -46.74 -32.27 3.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.756 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.12 -47.4 80.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.79 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.711 ' H ' HD12 ' A' ' 57' ' ' ILE . 4.2 mp -63.46 -42.4 96.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.24 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.51 ' HE3' ' HB2' ' A' ' 178' ' ' ALA . 26.8 mtpt -58.03 -62.7 1.63 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.985 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.489 ' HG3' ' N ' ' A' ' 60' ' ' ILE . 4.2 ptpp? -43.65 -37.73 2.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.042 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.489 ' N ' ' HG3' ' A' ' 59' ' ' LYS . 84.9 mt -64.07 -49.48 81.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 53.5 mt -57.76 -42.93 85.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -46.36 -47.25 18.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.088 0.471 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -70.61 -60.38 2.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 84.8 mt -44.35 -64.66 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.237 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.56 -19.91 0.22 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -85.49 -51.02 6.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -18.0 43.78 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.564 ' CD2' HG12 ' A' ' 103' ' ' ILE . 47.1 m-85 -103.01 156.62 17.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.768 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -106.97 177.29 4.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -80.21 115.13 19.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.894 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.532 ' CG ' HG13 ' A' ' 99' ' ' ILE . 4.1 t-160 -95.69 143.16 27.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.042 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -105.83 103.4 12.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.903 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 34.9 m -114.86 179.64 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.108 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' A' ' 153' ' ' GLY . 0.6 OUTLIER -132.58 154.16 50.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.846 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.669 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.5 p -111.3 116.82 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.94 0.4 . . . . 0.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -165.78 148.53 7.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.79 124.1 2.87 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.391 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.454 HG23 ' O ' ' A' ' 91' ' ' TRP . 60.9 mt -120.82 130.38 74.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.92 0.391 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.94 169.04 14.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.537 -0.839 . . . . 0.0 112.517 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.432 HG21 ' HA ' ' A' ' 84' ' ' PRO . 27.7 m -138.04 159.44 33.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 120.982 0.42 . . . . 0.0 110.963 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.701 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 13.7 m-85 -143.63 154.22 59.29 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 121.657 0.741 . . . . 0.0 110.873 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.2 Cg_endo -69.65 -25.38 8.0 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.82 -1.742 . . . . 0.0 112.348 0.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 82' ' ' PRO . 1.5 m-80 -158.07 159.19 30.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 121.35 0.595 . . . . 0.0 111.096 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.432 ' HA ' HG21 ' A' ' 80' ' ' VAL . 65.1 Cg_exo -48.04 -61.77 0.54 Allowed 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.659 2.239 . . . . 0.0 112.388 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -46.15 -28.58 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.014 0.435 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -134.04 92.05 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.918 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 68.9 t -87.16 135.2 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.2 mmm-85 -133.5 -33.64 1.09 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.646 HG22 ' HG2' ' A' ' 130' ' ' ARG . 91.7 t -139.05 117.94 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 72.2 mt -86.97 131.67 34.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.273 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.701 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 37.9 p-90 -148.2 144.03 27.45 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.9 168.22 11.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -125.77 149.26 17.22 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.526 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 87.3 t -106.68 146.98 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.728 0.299 . . . . 0.0 111.207 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 96' ' ' ASN . 13.7 mt-10 -72.07 -176.89 1.88 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.066 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.7 t30 -34.04 105.67 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.841 0.353 . . . . 0.0 110.659 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.791 ' HB2' HD12 ' A' ' 100' ' ' ILE . 7.0 p-10 -121.75 47.24 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.682 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 101' ' ' LYS . 5.3 tp10 -49.06 -68.36 0.19 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.532 HG13 ' CG ' ' A' ' 71' ' ' HIS . 48.1 mm -39.74 -47.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.048 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.791 HD12 ' HB2' ' A' ' 97' ' ' ASP . 75.3 mt -63.34 -40.28 88.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.837 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.481 ' HG2' ' CD1' ' A' ' 122' ' ' PHE . 6.6 mtmp? -63.57 -59.07 5.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.027 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.44 ' CD ' ' HA ' ' A' ' 99' ' ' ILE . 8.3 ptpt -50.3 -38.58 42.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.564 HG12 ' CD2' ' A' ' 68' ' ' TYR . 66.0 mt -67.86 -53.96 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.106 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -48.15 -33.98 9.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.057 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -71.32 -44.22 65.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -62.27 -47.78 82.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 58.0 mt -56.14 -35.35 41.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -81.75 -32.97 31.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.904 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.74 -39.52 74.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.677 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -76.09 -42.8 46.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.012 0.434 . . . . 0.0 110.962 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.706 HD12 ' HE3' ' A' ' 44' ' ' LYS . 75.6 mt -62.31 -39.88 94.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.859 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -39.86 -35.15 0.32 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.054 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -70.28 -43.66 69.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.934 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.639 HD12 HD23 ' A' ' 111' ' ' LEU . 22.5 mt -64.69 -26.95 68.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.798 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 123.47 47.12 0.26 Allowed Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.41 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.511 ' CD2' ' HB3' ' A' ' 111' ' ' LEU . 66.2 m-85 -120.64 168.14 11.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.89 0.376 . . . . 0.0 110.981 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -107.25 151.98 24.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.06 137.32 42.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -100.15 123.91 44.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -48.53 -54.14 14.34 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -91.29 131.43 36.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.749 0.309 . . . . 0.0 111.007 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.667 ' HE1' ' HB2' ' A' ' 124' ' ' ALA . 9.8 t80 -99.82 145.34 27.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.406 ' N ' ' CD1' ' A' ' 122' ' ' PHE . 45.8 t -142.36 109.58 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.667 ' HB2' ' HE1' ' A' ' 122' ' ' PHE . . . -85.49 106.19 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.459 ' C ' HD12 ' A' ' 126' ' ' ILE . 29.5 p-80 -135.68 168.1 19.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.853 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.517 ' N ' HD12 ' A' ' 126' ' ' ILE . 4.1 mp -136.43 106.26 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.078 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 45.4 m -64.46 111.96 2.91 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' ' 34' ' ' VAL . 50.3 mt -78.99 -40.62 31.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.994 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 179.37 176.18 46.83 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.651 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.646 ' HG2' HG22 ' A' ' 89' ' ' VAL . 51.0 mtp180 -116.97 142.86 46.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 110.943 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 59.5 t -84.76 105.01 13.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.191 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 17.5 tttm -73.9 -57.26 4.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.003 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.528 ' CE2' ' HG2' ' A' ' 30' ' ' LYS . 12.3 p90 -155.62 131.47 9.91 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.6 p -134.29 147.27 30.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.142 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -109.4 -44.87 3.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -83.91 99.59 10.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -62.38 -59.62 4.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 80.5 mt -43.07 -48.84 6.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -43.31 -36.5 3.04 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.648 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.64 -63.45 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 111.016 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -61.2 -61.6 2.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.108 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 141' ' ' ALA . 6.6 mmt -36.28 -35.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.641 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.583 ' HD3' HG23 ' A' ' 24' ' ' ILE . 1.2 ttmp? -77.79 -56.28 4.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.944 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 143' ' ' LYS . 90.7 mt -37.14 -60.22 0.66 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.718 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -43.53 -49.6 7.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -58.57 -42.21 87.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.43 HD21 ' HB1' ' A' ' 20' ' ' ALA . 8.7 mp -101.11 39.89 1.35 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -105.52 -32.95 8.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.078 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 150' ' ' GLU . 32.1 m-80 -111.57 -23.48 10.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.811 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 149' ' ' ASN . 8.6 mt-10 -36.78 124.26 0.86 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.033 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -84.09 139.0 32.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.758 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.669 ' HB2' HG13 ' A' ' 75' ' ' VAL . 37.9 m-85 -103.81 -38.78 6.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . 0.402 ' O ' ' ND2' ' A' ' 74' ' ' ASN . . . 138.84 -164.72 25.74 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.627 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.8 m -140.88 167.04 23.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.846 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . 0.417 ' CE2' HG21 ' A' ' 13' ' ' VAL . 16.0 p90 -169.79 155.39 5.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.057 0.456 . . . . 0.0 110.803 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 54.0 mt -104.86 125.48 59.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.36 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.759 HG22 HG21 ' A' ' 7' ' ' ILE . 38.0 t -75.55 100.47 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.083 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -98.4 -67.9 0.83 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.802 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.686 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -96.33 171.14 8.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.037 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 161' ' ' GLU . 86.2 mt -126.39 151.79 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.221 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.401 ' N ' HG22 ' A' ' 160' ' ' ILE . 63.7 tt0 -126.88 145.22 50.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.519 HD23 ' HB3' ' A' ' 178' ' ' ALA . 12.8 tp -131.19 115.67 16.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -118.02 158.36 25.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.478 ' HB3' ' CD1' ' A' ' 177' ' ' LEU . 7.2 pttm -115.96 175.22 5.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.049 0.452 . . . . 0.0 110.744 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 30.9 m -144.58 127.71 16.62 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.802 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 28.6 m -134.29 99.61 4.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.043 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 16.2 mt -69.82 131.31 44.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.834 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 29.9 p -134.88 155.68 79.09 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.479 0.656 . . . . 0.0 111.439 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -47.78 -31.99 16.06 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.716 2.278 . . . . 0.0 112.399 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -80.43 -26.55 38.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 151.11 173.29 20.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.431 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.65 126.28 13.2 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.883 2.388 . . . . 0.0 112.268 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 14.9 mm -100.0 133.73 41.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.068 0.461 . . . . 0.0 111.079 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -128.32 132.33 48.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.744 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -158.58 146.25 18.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.409 HG21 ' HG2' ' A' ' 179' ' ' ARG . 24.7 m -75.02 148.27 40.0 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.212 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 164' ' ' LYS . 24.3 mt -115.86 -44.92 2.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.007 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.519 ' HB3' HD23 ' A' ' 162' ' ' LEU . . . -135.72 141.65 44.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' ARG . . . . . 0.409 ' HG2' HG21 ' A' ' 176' ' ' THR . 20.1 mmm-85 -135.85 109.04 7.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.939 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.686 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 20.5 m-85 -105.25 98.3 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.066 0.46 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 . . . . . 0 C--O 1.233 0.203 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.861 -179.855 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 tpt . . . . . 0 N--CA 1.462 0.139 0 CA-C-O 120.721 0.296 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -71.51 67.41 0.52 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.772 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.526 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -68.34 149.21 49.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.162 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.659 ' O ' HD12 ' A' ' 162' ' ' LEU . 31.7 p90 -168.32 132.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.575 HG21 HD11 ' A' ' 61' ' ' LEU . 46.3 pt -87.95 137.98 20.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.985 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.619 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -131.72 163.98 26.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.18 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.519 HG21 HG22 ' A' ' 157' ' ' VAL . 82.8 mt -103.7 118.79 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.064 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -50.04 120.96 4.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.493 HG23 ' NE ' ' A' ' 14' ' ' ARG . 4.7 m -101.66 90.64 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 9' ' ' VAL . 11.6 t -33.93 148.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.792 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -43.85 -25.19 0.17 Allowed 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.82 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.5 p -51.46 -47.26 63.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.795 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.404 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 84.5 t -82.3 -43.17 19.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.493 ' NE ' HG23 ' A' ' 9' ' ' VAL . 22.9 mmt180 -41.5 -64.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.909 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -58.5 -43.9 89.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.737 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -44.64 -62.77 1.08 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.049 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt -55.11 -48.51 73.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.038 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.7 t -52.64 -42.46 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.939 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.0 ttm-85 -50.64 -49.5 56.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.708 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.17 -50.1 74.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.944 0.402 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.523 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 69.7 mt-30 -47.23 -56.17 7.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -42.9 -34.88 1.04 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.726 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -81.01 -40.49 24.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.8 mt -54.9 -57.17 7.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.935 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.43 165.07 1.85 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.459 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.3 p -132.02 42.08 3.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.854 0.359 . . . . 0.0 110.792 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -79.88 -50.7 10.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -86.39 -45.45 11.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.84 179.01 4.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.591 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 30.8 mmmt -132.59 86.82 2.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.572 HG12 HG22 ' A' ' 131' ' ' VAL . 37.3 mt -111.5 120.05 61.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.009 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.11 89.44 8.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.523 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 16.6 m-85 -56.05 175.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.004 0.43 . . . . 0.0 110.826 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.567 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 46.4 t -116.51 148.91 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.961 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -42.05 159.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.075 0.464 . . . . 0.0 110.727 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.484 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 50.3 mtp180 -70.2 -42.43 72.37 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -84.47 24.7 0.96 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.458 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 2.1 m-80 -128.57 11.93 6.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 27.0 m-85 -92.48 7.75 41.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.986 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.619 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 3.4 p-80 -54.84 122.37 10.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.487 HG12 ' CG1' ' A' ' 126' ' ' ILE . 44.7 mt -58.48 120.58 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.181 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 50.0 m -69.76 102.77 1.99 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.749 HD23 ' O ' ' A' ' 43' ' ' LEU . 3.6 tt -68.12 -37.47 81.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.416 ' HB3' HD11 ' A' ' 5' ' ' ILE . 8.0 tmtm? -167.39 133.1 2.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.852 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -90.08 136.71 32.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.826 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.697 ' HB3' HD11 ' A' ' 49' ' ' ILE . 20.1 mt -107.79 -63.79 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.92 -139.17 14.3 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.254 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.4 130.76 45.03 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.9 0.381 . . . . 0.0 110.811 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.697 HD11 ' HB3' ' A' ' 46' ' ' LEU . 46.0 mt -149.3 154.89 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.24 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.434 ' N ' HG22 ' A' ' 49' ' ' ILE . 21.0 p -95.76 145.71 25.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.101 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -46.92 -35.43 6.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -72.04 -38.05 69.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.763 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.611 ' O ' HD12 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -76.16 -30.48 58.13 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.768 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -40.22 -66.65 0.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.074 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -52.61 -29.02 23.74 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.408 ' CB ' ' O ' ' A' ' 53' ' ' GLN . 2.9 tt0 -60.04 -40.22 88.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.815 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 53' ' ' GLN . 3.8 mp -69.96 -44.93 78.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.042 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.453 ' HG2' ' CB ' ' A' ' 178' ' ' ALA . 0.8 OUTLIER -63.42 -58.45 7.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.116 179.638 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.491 ' HG3' ' N ' ' A' ' 60' ' ' ILE . 15.6 ptpt -44.75 -45.26 9.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.807 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.491 ' N ' ' HG3' ' A' ' 59' ' ' LYS . 77.7 mt -61.18 -50.41 80.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.575 HD11 HG21 ' A' ' 5' ' ' ILE . 44.4 mt -50.02 -48.05 52.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -49.15 -37.61 22.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.721 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -70.2 -53.0 18.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.877 0.37 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.565 HG23 ' CE1' ' A' ' 68' ' ' TYR . 90.1 mt -61.4 -67.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.202 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -43.2 -22.97 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.268 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 64' ' ' ILE . 19.2 tttp -86.08 -53.16 5.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.717 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -19.16 61.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.601 ' CD2' HG12 ' A' ' 103' ' ' ILE . 51.5 m-85 -100.0 159.67 14.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.18 177.43 4.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.981 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.449 ' HB2' ' CG2' ' A' ' 156' ' ' ILE . 8.9 ptpt -109.76 110.04 20.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.466 ' CD2' ' N ' ' A' ' 72' ' ' GLU . 40.7 t60 -97.41 162.0 13.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.466 ' N ' ' CD2' ' A' ' 71' ' ' HIS . 10.0 tt0 -97.18 100.32 11.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.713 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 23.4 m -101.18 158.48 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.232 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 153' ' ' GLY . 16.4 t-20 -113.44 165.79 12.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.143 0.497 . . . . 0.0 110.813 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.672 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.7 p -126.71 113.52 33.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.411 ' HD3' ' C ' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -160.91 152.9 19.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.82 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.18 140.87 9.15 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.527 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 91' ' ' TRP . 84.2 mt -136.4 150.8 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.932 0.396 . . . . 0.0 111.005 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -132.2 169.0 22.34 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.468 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.4 m -133.7 175.53 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.792 0.33 . . . . 0.0 111.115 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.57 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 11.4 m-85 -158.08 149.09 16.36 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 121.578 0.704 . . . . 0.0 110.934 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 53.5 Cg_endo -69.74 -28.38 6.29 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.891 -1.712 . . . . 0.0 112.361 -0.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -157.91 161.29 29.17 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 121.627 0.727 . . . . 0.0 110.999 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -48.11 -56.33 3.21 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.733 2.288 . . . . 0.0 112.169 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -40.31 -40.54 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.971 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -134.92 91.85 2.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.2 t -80.77 127.44 39.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.276 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -118.28 -40.16 2.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.792 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 87.9 t -135.93 126.38 42.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.489 ' CD1' HD13 ' A' ' 31' ' ' ILE . 79.5 mt -91.22 136.03 25.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.111 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.57 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 51.5 p-90 -146.74 139.98 25.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.829 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.39 163.14 13.71 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.16 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.44 145.2 15.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.426 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 95' ' ' GLU . 62.2 t -99.11 154.9 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-O 120.595 0.236 . . . . 0.0 111.304 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.497 ' O ' ' C ' ' A' ' 96' ' ' ASN . 8.3 mm-40 -75.67 -176.58 3.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.497 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -29.55 115.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.687 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.593 ' OD2' HD12 ' A' ' 100' ' ' ILE . 2.1 m-20 -125.14 28.97 6.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.785 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 97' ' ' ASP . 4.2 tp10 -35.83 -49.63 0.62 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.3 mm -60.5 -61.51 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.112 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.593 HD12 ' OD2' ' A' ' 97' ' ' ASP . 79.2 mt -56.46 -19.77 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.218 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -78.18 -58.65 3.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.79 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -59.33 -32.94 70.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.028 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.601 HG12 ' CD2' ' A' ' 68' ' ' TYR . 91.7 mt -67.26 -44.52 87.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.097 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.48 -38.47 69.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.174 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -63.49 -41.48 98.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -66.6 -43.92 83.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.701 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.428 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 63.6 mt -62.39 -37.48 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.233 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -82.66 -30.13 29.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.878 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -57.06 -41.35 78.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.814 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.95 -52.41 11.26 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.954 0.406 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.736 HD23 HD12 ' A' ' 114' ' ' LEU . 74.8 mt -51.16 -42.03 60.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -38.49 -38.71 0.4 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.988 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -68.86 -39.49 79.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.736 HD12 HD23 ' A' ' 111' ' ' LEU . 48.6 mt -64.52 -17.98 64.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.74 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 112.64 42.14 0.97 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.566 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -115.82 167.62 10.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.91 0.386 . . . . 0.0 110.811 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -89.53 160.45 16.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.703 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -127.58 124.1 37.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.991 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 23.8 mp0 -97.11 110.59 23.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.974 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.28 -54.1 36.45 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.4 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -93.57 112.53 24.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.647 0.26 . . . . 0.0 110.96 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -94.61 137.89 33.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.031 0.443 . . . . 0.0 110.831 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 44.8 t -137.32 109.62 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.172 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.92 103.14 5.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.201 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.513 ' C ' HD12 ' A' ' 126' ' ' ILE . 39.3 p-80 -136.44 168.88 18.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.596 ' N ' HD12 ' A' ' 126' ' ' ILE . 3.1 mp -139.85 106.44 2.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.136 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 89.0 m -61.69 106.74 0.71 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.037 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 29.3 mt -67.9 -41.42 82.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.696 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -179.19 -168.16 37.79 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.532 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 -132.89 138.28 46.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.939 0.4 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.572 HG22 HG12 ' A' ' 31' ' ' ILE . 56.5 t -83.2 126.09 40.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.243 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -90.48 -60.42 1.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.966 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.591 ' CE2' ' HG3' ' A' ' 30' ' ' LYS . 40.3 p90 -164.16 117.66 1.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 135' ' ' LYS . 3.1 p -114.5 154.67 15.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.213 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.446 ' N ' HG22 ' A' ' 134' ' ' VAL . 14.9 mmtp -101.29 -46.59 4.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.892 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -86.2 116.34 24.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.035 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 138' ' ' LEU . 0.0 OUTLIER -78.56 -60.44 2.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 137' ' ' LYS . 30.3 mt -34.86 -60.27 0.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.954 0.406 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -37.86 -46.53 1.72 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.511 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.402 HD21 HG11 ' A' ' 134' ' ' VAL . 35.6 mt -47.31 -61.54 1.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.704 0.287 . . . . 0.0 110.693 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.594 ' HA ' HD12 ' A' ' 144' ' ' LEU . . . -68.62 -59.93 2.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.187 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 141' ' ' ALA . 23.8 mmt -35.98 -42.46 0.28 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.807 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 146' ' ' GLU . 1.7 ttmp? -70.52 -48.73 54.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.823 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 141' ' ' ALA . 64.1 mt -36.98 -41.67 0.36 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -61.55 -46.99 87.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.988 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.508 ' N ' ' OE1' ' A' ' 146' ' ' GLU . 0.7 OUTLIER -56.55 -43.62 80.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.067 0.461 . . . . 0.0 110.947 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.41 ' HB3' HD12 ' A' ' 78' ' ' ILE . 5.4 mp -100.72 37.31 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -96.69 -40.17 9.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.06 -18.03 11.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -40.29 108.16 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.772 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -69.62 152.06 45.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.672 ' HB2' HG13 ' A' ' 75' ' ' VAL . 48.4 m-85 -114.61 -35.02 5.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.742 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . 0.433 ' O ' ' ND2' ' A' ' 74' ' ' ASN . . . 138.46 -163.55 25.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.365 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 44.8 t -146.13 172.43 13.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.758 0.313 . . . . 0.0 111.009 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -173.79 171.85 3.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.991 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.449 ' CG2' ' HB2' ' A' ' 70' ' ' LYS . 79.4 mt -116.7 126.67 74.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.187 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.519 HG22 HG21 ' A' ' 7' ' ' ILE . 99.3 t -76.23 98.79 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.063 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -97.43 -72.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.987 0.423 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.693 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -95.66 172.68 7.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.24 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 95.9 mt -126.35 147.79 31.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.242 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -127.22 124.23 38.45 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 4' ' ' PHE . 12.0 tp -110.51 133.96 52.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -127.02 164.49 21.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.027 0.441 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -129.83 132.91 46.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.778 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 6.5 t -110.69 130.11 55.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 90.8 m -134.93 101.76 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 21.2 mt -68.26 130.46 42.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 20.6 p -132.94 157.77 77.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.51 0.672 . . . . 0.0 111.136 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -47.65 -32.02 15.51 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.825 2.35 . . . . 0.0 112.354 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 171' ' ' GLY . 3.0 ptmm? -80.32 -31.36 38.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.14 0.495 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . 0.401 ' N ' ' HG3' ' A' ' 170' ' ' LYS . . . 156.61 176.41 28.66 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.357 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 123.93 10.55 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.8 2.334 . . . . 0.0 112.338 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 39.4 mm -97.54 136.29 28.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -132.29 115.47 15.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.678 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -139.57 144.07 37.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.783 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 11.8 m -75.96 145.32 40.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.149 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 26.0 mt -104.12 -46.95 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.015 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.453 ' CB ' ' HG2' ' A' ' 58' ' ' LYS . . . -153.29 148.75 27.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.041 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -135.45 105.44 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.693 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 10.9 m-85 -90.87 98.07 11.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.835 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.661 -179.799 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.648 0.261 . . . . 0.0 110.759 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -97.18 101.41 12.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.935 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -98.21 135.22 40.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.588 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 16.0 p90 -146.86 129.35 15.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.707 HD11 ' HB3' ' A' ' 44' ' ' LYS . 13.0 pt -93.99 119.55 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.346 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.652 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -116.9 170.5 8.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.266 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.84 HG21 HG22 ' A' ' 157' ' ' VAL . 43.2 mt -102.88 131.4 51.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.036 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -58.29 131.31 50.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.814 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 9' ' ' VAL . 34.2 m -108.82 90.55 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 11' ' ' GLU . 23.5 m -39.42 145.5 0.12 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.834 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 10' ' ' SER . 13.9 pt-20 -33.09 -41.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' GLU . 22.7 t -37.37 -58.31 0.85 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.978 0.418 . . . . 0.0 110.782 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.4 t -70.64 -46.36 69.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.422 ' O ' HG23 ' A' ' 18' ' ' VAL . 17.8 mmt180 -43.6 -60.91 1.56 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -62.32 -36.56 82.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.837 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.0 -52.61 63.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.982 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.7 mt -64.16 -55.11 24.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.957 0.408 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.916 HG21 ' HD3' ' A' ' 36' ' ' ARG . 90.8 t -50.64 -37.78 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.079 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -50.43 -45.75 56.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.969 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.91 -51.47 47.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.064 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -41.94 -60.09 1.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.817 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -39.83 -45.19 1.75 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -66.71 -44.51 81.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.769 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.6 mt -55.72 -60.08 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.94 163.39 0.13 Allowed Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.68 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.0 p -117.44 46.53 1.69 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.974 0.416 . . . . 0.0 110.94 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 tttm -68.52 -61.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 28' ' ' GLU . 1.9 pm0 -90.66 -38.26 13.21 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.929 0.395 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.409 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -99.93 146.39 26.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.529 ' HG2' ' CE2' ' A' ' 133' ' ' PHE . 11.6 tptm -103.09 91.62 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.92 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.531 HG12 HG22 ' A' ' 131' ' ' VAL . 25.8 mt -111.05 129.08 66.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -96.6 85.29 3.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.948 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -58.11 179.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.784 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.407 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 20.2 t -122.42 151.06 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -43.46 165.83 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.916 ' HD3' HG21 ' A' ' 18' ' ' VAL . 10.4 mtm105 -76.84 -41.45 44.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -79.49 11.93 2.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.813 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.531 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 1.8 m-80 -116.27 2.71 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.454 ' CD2' ' HA ' ' A' ' 36' ' ' ARG . 20.0 m-85 -83.55 5.23 24.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.531 ' CE1' ' HA ' ' A' ' 38' ' ' ASN . 3.5 p-80 -50.18 118.99 3.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.765 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.652 ' O ' ' HB1' ' A' ' 6' ' ' ALA . 45.7 mt -56.57 125.15 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.266 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.1 m -76.74 115.24 16.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.972 0.415 . . . . 0.0 111.157 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -84.3 -59.67 2.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.707 ' HB3' HD11 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -131.73 127.53 37.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.828 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -100.55 121.54 41.76 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.734 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.681 ' HB2' HD11 ' A' ' 49' ' ' ILE . 7.3 mt -101.24 -63.37 1.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.132 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 100.92 -127.37 9.23 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.44 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -62.81 122.72 16.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.068 0.461 . . . . 0.0 110.764 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.935 HD12 ' HB3' ' A' ' 3' ' ' ALA . 50.3 mt -145.68 147.44 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.2 p -89.09 142.79 27.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.991 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -46.25 -28.16 1.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.691 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -75.15 -70.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.793 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.498 ' O ' HD12 ' A' ' 57' ' ' ILE . 65.1 mt-30 -44.45 -28.32 0.55 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.047 0.451 . . . . 0.0 111.099 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 56' ' ' GLU . . . -48.09 -67.35 0.28 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.025 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -43.27 -24.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.752 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 54' ' ' ALA . 5.0 tp10 -69.21 -63.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.813 ' H ' HD12 ' A' ' 57' ' ' ILE . 3.9 mp -36.88 -40.61 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.307 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.489 ' HE2' HD23 ' A' ' 162' ' ' LEU . 0.0 OUTLIER -56.66 -61.98 2.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.106 179.747 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -45.48 -56.62 4.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 76.6 mt -45.75 -52.88 2.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.05 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.597 HD21 HD13 ' A' ' 5' ' ' ILE . 20.4 mt -57.15 -58.1 9.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 61' ' ' LEU . 4.1 tp10 -36.55 -30.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.979 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 61' ' ' LEU . 75.0 mttt -85.57 -58.88 2.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.409 ' HA ' ' CD ' ' A' ' 67' ' ' LYS . 77.9 mt -50.47 -50.33 21.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.73 -10.87 2.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.051 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.418 ' HD3' ' C ' ' A' ' 66' ' ' LYS . 1.3 tmtp? -104.47 -41.57 5.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.409 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 4.3 ptmt -65.65 -18.54 65.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.487 ' CG ' HG12 ' A' ' 103' ' ' ILE . 45.3 m-85 -103.67 158.31 16.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -95.55 -175.95 3.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.78 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.478 ' HB3' ' CG2' ' A' ' 156' ' ' ILE . 0.3 OUTLIER -113.12 101.68 9.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.937 0.398 . . . . 0.0 110.869 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.465 ' CB ' HG13 ' A' ' 99' ' ' ILE . 21.4 t60 -98.76 143.99 28.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.77 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -86.83 110.92 20.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.5 m -104.75 173.28 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.203 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.421 ' O ' HG13 ' A' ' 94' ' ' VAL . 8.2 t30 -124.32 159.98 29.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.987 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 p -127.06 103.93 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.289 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 6.4 ttt180 -150.85 143.2 24.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.768 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.437 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 103.03 145.62 15.75 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.727 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 88.9 mt -138.14 134.8 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.816 0.341 . . . . 0.0 111.187 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.572 ' HA3' ' CZ2' ' A' ' 91' ' ' TRP . . . -111.33 158.17 14.51 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.676 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.9 m -127.4 164.89 27.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.814 0.34 . . . . 0.0 111.189 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.61 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 11.5 m-85 -151.95 149.26 23.11 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.462 0.649 . . . . 0.0 110.968 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 53.8 Cg_endo -69.78 -30.29 5.23 Favored 'Cis proline' 0 C--O 1.229 0.064 0 C-N-CA 122.591 -1.837 . . . . 0.0 112.297 0.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.78 161.51 29.24 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.693 0.759 . . . . 0.0 110.819 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -48.16 -65.11 0.18 Allowed 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.636 2.224 . . . . 0.0 112.462 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -42.35 -30.14 0.31 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -133.81 92.03 2.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.082 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 80.4 t -86.92 131.14 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -123.67 -42.31 2.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.799 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.404 HG22 ' HG2' ' A' ' 130' ' ' ARG . 91.2 t -133.92 122.69 42.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.928 0.394 . . . . 0.0 111.169 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 73.8 mt -87.14 123.25 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.195 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.61 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 58.3 p-90 -137.47 136.26 37.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.05 161.47 15.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.87 151.41 17.07 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.555 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 74' ' ' ASN . 88.5 t -104.92 149.92 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.891 0.376 . . . . 0.0 111.234 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.514 ' O ' ' C ' ' A' ' 96' ' ' ASN . 12.5 mm-40 -71.06 -176.06 1.31 Allowed 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.514 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.6 OUTLIER -28.86 115.37 0.09 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.814 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 95' ' ' GLU . 63.4 m-20 -129.35 29.76 5.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.766 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -40.77 -50.63 3.14 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.813 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.465 HG13 ' CB ' ' A' ' 71' ' ' HIS . 39.6 mm -54.27 -53.72 27.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.056 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.1 mt -60.77 -26.78 39.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.074 0.464 . . . . 0.0 111.227 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.401 ' HG2' ' CD1' ' A' ' 122' ' ' PHE . 30.1 mtmt -71.68 -58.6 3.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.835 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.473 ' HE3' ' CD1' ' A' ' 68' ' ' TYR . 10.2 pttt -53.72 -38.34 64.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.848 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.487 HG12 ' CG ' ' A' ' 68' ' ' TYR . 95.2 mt -67.23 -42.91 88.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.086 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.516 ' HA ' HD12 ' A' ' 107' ' ' ILE . . . -57.84 -36.86 72.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.093 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.1 tttp -65.82 -46.3 79.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.764 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -60.42 -47.25 86.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.759 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 104' ' ' ALA . 55.3 mt -51.2 -40.41 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 109' ' ' ASP . 4.4 t0 -77.84 -53.84 7.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.908 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 108' ' ' ASP . 7.0 t70 -34.78 -51.27 0.49 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.94 -47.96 70.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.663 HD23 HD12 ' A' ' 114' ' ' LEU . 51.3 mt -52.01 -44.86 64.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 111' ' ' LEU . . . -34.68 -38.66 0.08 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.887 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -65.84 -46.75 77.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.938 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.663 HD12 HD23 ' A' ' 111' ' ' LEU . 33.3 mt -65.2 -26.78 68.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.04 0.447 . . . . 0.0 110.933 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 121.47 66.38 0.25 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.631 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.558 ' CD2' ' HB3' ' A' ' 111' ' ' LEU . 96.7 m-85 -141.07 152.79 45.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.995 0.426 . . . . 0.0 110.753 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -76.52 159.35 30.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.781 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.404 ' HE2' ' HB2' ' A' ' 112' ' ' ALA . 16.0 mttm -109.18 109.6 20.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.862 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -100.07 83.6 2.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.945 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.92 -48.34 57.87 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.447 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -70.76 101.99 2.22 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.676 0.274 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.534 ' HE1' ' HB2' ' A' ' 124' ' ' ALA . 2.7 t80 -99.23 133.86 42.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 20.6 t -137.03 106.38 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.186 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.534 ' HB2' ' HE1' ' A' ' 122' ' ' PHE . . . -76.34 104.22 6.75 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -140.1 168.97 18.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.554 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.6 mp -139.78 105.78 2.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.025 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 91.3 m -64.3 106.72 1.16 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.032 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 72.0 mt -69.92 -39.59 76.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.052 0.453 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -178.6 -162.09 27.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.404 ' HG2' HG22 ' A' ' 89' ' ' VAL . 33.6 mtm180 -141.44 144.32 34.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.919 0.39 . . . . 0.0 110.874 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.531 HG22 HG12 ' A' ' 31' ' ' ILE . 61.6 t -90.18 115.02 28.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.206 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -82.69 -55.96 4.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.786 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.529 ' CE2' ' HG2' ' A' ' 30' ' ' LYS . 35.5 p90 -157.03 122.75 4.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.5 p -124.32 150.01 28.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -105.75 -43.44 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.04 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -84.69 107.0 16.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.044 0.449 . . . . 0.0 111.066 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -74.76 -64.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.829 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 37.6 mt -39.47 -48.4 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.959 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -42.99 -46.65 6.23 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.392 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 20.9 mt -50.18 -63.23 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 111.004 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.26 -52.38 65.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.215 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.4 mmt -51.56 -29.0 15.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -81.88 -54.46 5.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.014 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 57.7 mt -39.1 -58.56 1.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -38.47 -54.81 1.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.817 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -55.42 -42.71 74.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.851 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.9 mp -101.44 34.43 2.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -94.8 -35.9 11.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.217 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 150' ' ' GLU . 0.7 OUTLIER -116.43 -13.37 10.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.909 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 149' ' ' ASN . 2.8 tt0 -35.96 113.33 0.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -72.72 143.62 47.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.811 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -111.02 -37.35 5.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 138.06 -161.1 25.53 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.563 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 62.8 m -141.41 171.05 14.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.948 0.404 . . . . 0.0 111.001 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -172.52 162.86 5.33 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.478 ' CG2' ' HB3' ' A' ' 70' ' ' LYS . 85.2 mt -109.58 127.22 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.189 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.84 HG22 HG21 ' A' ' 7' ' ' ILE . 66.8 t -78.91 89.96 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.996 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.428 ' HA ' ' CG ' ' A' ' 70' ' ' LYS . 3.4 mt-10 -98.56 -67.19 0.86 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.966 0.412 . . . . 0.0 110.778 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.775 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -88.2 169.99 11.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 89.4 mt -134.58 142.84 39.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -121.86 131.12 53.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.007 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.51 ' HB2' HG22 ' A' ' 5' ' ' ILE . 17.6 tp -112.29 128.65 56.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.083 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 8.0 tttm -129.3 146.98 51.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.926 0.393 . . . . 0.0 110.983 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -107.14 168.47 9.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.764 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 14.4 m -145.29 126.82 15.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 90.3 m -134.96 100.73 4.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.201 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 32.3 mt -72.02 132.74 44.68 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 66.7 p -136.63 155.98 76.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.632 0.73 . . . . 0.0 111.163 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -48.09 -31.54 16.59 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.795 2.33 . . . . 0.0 112.2 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -27.87 37.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.053 0.454 . . . . 0.0 110.834 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 152.94 171.12 20.0 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.475 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . 0.453 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 55.6 Cg_endo -69.73 130.95 20.27 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.736 2.291 . . . . 0.0 112.518 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 46.6 mm -101.6 127.58 54.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -125.75 126.39 44.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 176' ' ' THR . 5.7 tp10 -156.29 149.01 23.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.854 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.426 ' N ' ' HG3' ' A' ' 175' ' ' GLU . 5.3 m -82.63 150.89 26.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.127 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 36.4 mt -117.61 -39.25 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -150.69 130.75 13.46 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.218 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -125.96 110.34 13.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.031 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.775 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 22.1 m-85 -101.28 99.05 9.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.945 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.427 ' CE ' ' HB2' ' A' ' 54' ' ' ALA . 6.9 ptt? . . . . . 0 N--CA 1.454 -0.233 0 CA-C-O 121.031 0.443 . . . . 0.0 110.746 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -85.36 87.04 7.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.762 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.796 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -86.69 146.23 26.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.143 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.559 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 6.4 p90 -167.39 135.98 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.796 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.613 HD11 ' HB3' ' A' ' 44' ' ' LYS . 42.3 pt -88.94 139.89 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.07 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -137.3 173.01 12.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.048 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.674 HD11 HD12 ' A' ' 43' ' ' LEU . 66.3 mt -115.49 122.05 68.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.168 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -50.35 136.0 20.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.79 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.454 HG23 ' HG3' ' A' ' 14' ' ' ARG . 4.1 m -115.97 86.62 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.159 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -42.91 165.44 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -46.09 -42.04 13.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.74 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.2 p -41.01 -35.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.792 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.593 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 41.9 t -97.38 -58.34 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.118 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.454 ' HG3' HG23 ' A' ' 9' ' ' VAL . 40.6 mtt180 -38.54 -69.66 0.12 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.824 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -50.07 -35.52 25.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.849 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -57.85 -62.96 1.43 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.826 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.517 HD23 ' CE1' ' A' ' 152' ' ' PHE . 93.6 mt -57.01 -43.07 81.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.745 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.416 HG21 ' CZ ' ' A' ' 36' ' ' ARG . 93.4 t -62.7 -34.38 65.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.2 tpt85 -58.2 -48.86 79.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.767 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.55 -52.93 63.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.167 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.513 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 51.8 mt-30 -44.53 -53.14 7.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -45.73 -43.29 12.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.714 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -70.74 -28.16 64.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.95 0.405 . . . . 0.0 110.979 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.4 mt -70.19 -60.3 2.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.228 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.6 151.97 0.41 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.386 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.3 p -117.58 52.58 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.96 0.41 . . . . 0.0 110.937 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -92.96 -54.6 3.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.471 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -86.42 -38.5 17.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.471 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -100.15 171.98 7.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.5 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 2.4 tmtm? -125.89 94.74 4.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.47 HG12 HG22 ' A' ' 131' ' ' VAL . 21.6 mt -122.38 134.1 66.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -101.31 82.93 2.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.513 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 19.8 m-85 -56.79 166.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.462 HG12 ' CB ' ' A' ' 38' ' ' ASN . 25.0 t -105.27 145.91 12.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.28 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -38.59 155.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.957 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 5.5 ttt85 -65.66 -42.15 91.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.71 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -81.33 15.71 1.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.99 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.462 ' CB ' HG12 ' A' ' 34' ' ' VAL . 1.7 m-80 -120.05 11.39 11.68 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' A' ' 36' ' ' ARG . 22.7 m-85 -89.94 7.78 35.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.66 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -55.21 128.69 35.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.957 0.408 . . . . 0.0 110.778 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.3 mt -63.83 117.31 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.06 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 44.7 m -74.69 104.13 5.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.205 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.674 HD12 HD11 ' A' ' 7' ' ' ILE . 5.2 tt -75.64 -53.41 8.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.613 ' HB3' HD11 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -138.73 124.17 19.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.048 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -93.55 133.81 36.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.524 ' CB ' HD11 ' A' ' 49' ' ' ILE . 8.6 mt -114.77 -67.34 1.0 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.38 -129.68 9.98 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.432 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -64.58 129.0 38.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 110.981 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.796 HD12 ' HB3' ' A' ' 3' ' ' ALA . 14.7 mt -150.32 153.64 10.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 52' ' ' GLU . 44.6 p -104.6 133.11 50.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' THR . 28.0 tt0 -37.12 -28.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.764 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 50' ' ' THR . 19.8 mt-10 -71.27 -48.67 49.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.982 0.42 . . . . 0.0 111.111 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' THR . 66.5 mm-40 -74.26 -35.46 63.78 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.074 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.427 ' HB2' ' CE ' ' A' ' 1' ' ' MET . . . -47.88 -55.66 9.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -55.06 -15.68 2.31 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -77.9 -53.05 7.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.665 HG13 HD21 ' A' ' 111' ' ' LEU . 1.7 mp -42.34 -54.0 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.186 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.591 ' HE2' ' HB2' ' A' ' 178' ' ' ALA . 68.4 mttt -36.33 -70.55 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 58' ' ' LYS . 44.1 mttm -33.94 -67.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.981 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 85.8 mt -40.42 -53.72 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.222 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.4 mt -54.05 -50.8 65.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.787 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -56.86 -28.51 61.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.737 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -85.67 -19.63 30.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.8 mt -92.26 -62.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.52 -17.02 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.152 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -30.12 19.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.02 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -84.9 -11.84 54.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -110.96 158.12 19.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -103.18 -178.24 3.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.46 ' HB2' ' CG2' ' A' ' 156' ' ' ILE . 0.0 OUTLIER -111.04 109.91 20.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.961 179.764 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.452 ' CD2' ' H ' ' A' ' 72' ' ' GLU . 3.2 t-160 -95.16 172.76 7.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.753 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.452 ' H ' ' CD2' ' A' ' 71' ' ' HIS . 12.4 tt0 -109.41 95.41 5.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.9 m -106.28 160.77 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.013 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.493 ' ND2' ' CB ' ' A' ' 95' ' ' GLU . 6.2 p30 -118.47 160.27 22.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.633 HG13 ' HB2' ' A' ' 152' ' ' PHE . 1.6 p -113.5 94.32 3.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.015 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -138.49 138.87 38.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.15 131.94 6.83 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.344 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.509 HD12 ' HB3' ' A' ' 147' ' ' LEU . 62.3 mt -126.57 145.46 34.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.952 0.406 . . . . 0.0 111.08 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.19 173.51 15.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.416 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.425 HG21 ' HA ' ' A' ' 84' ' ' PRO . 32.7 m -139.05 171.7 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.882 0.373 . . . . 0.0 111.18 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.637 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 10.1 m-85 -157.79 149.54 17.14 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.608 0.718 . . . . 0.0 111.047 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.4 Cg_endo -69.88 -22.27 9.84 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.733 -1.778 . . . . 0.0 112.469 0.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 86' ' ' TYR . 0.5 OUTLIER -162.93 162.52 18.26 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.738 0.78 . . . . 0.0 110.83 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.425 ' HA ' HG21 ' A' ' 80' ' ' VAL . 67.2 Cg_exo -47.77 -63.73 0.29 Allowed 'Trans proline' 0 CA--C 1.527 0.128 0 C-N-CA 122.796 2.331 . . . . 0.0 112.276 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 84' ' ' PRO . 11.6 m-20 -37.8 -38.29 0.28 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 83' ' ' ASN . 4.1 t80 -131.89 100.72 5.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.3 t -93.71 130.15 43.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -126.43 -31.33 2.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.694 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 79.6 t -138.2 121.0 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 84.6 mt -91.56 118.52 37.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.131 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.637 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 28.9 p-90 -129.95 135.44 48.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.986 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -89.19 156.43 18.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.963 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.04 154.42 17.69 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.314 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 74' ' ' ASN . 84.4 t -107.25 147.3 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.619 0.247 . . . . 0.0 111.225 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' A' ' 96' ' ' ASN . 17.3 mm-40 -70.65 -176.25 1.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.751 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.528 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.9 p30 -25.31 108.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.037 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.699 ' HB2' HD12 ' A' ' 100' ' ' ILE . 2.6 p30 -128.68 37.05 4.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 101' ' ' LYS . 9.0 tt0 -37.19 -71.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 98' ' ' GLU . 10.1 mm -35.24 -55.29 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.04 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.699 HD12 ' HB2' ' A' ' 97' ' ' ASP . 62.1 mt -55.53 -39.31 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.188 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 98' ' ' GLU . 6.6 mtmp? -67.52 -64.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.423 ' CE ' HD13 ' A' ' 99' ' ' ILE . 14.2 ptpt -47.0 -28.07 1.51 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.959 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.431 HD12 HG22 ' A' ' 99' ' ' ILE . 94.9 mt -80.89 -46.35 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.09 0.471 . . . . 0.0 111.376 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.31 -39.5 64.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.032 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 106' ' ' GLU . 5.3 ptmm? -73.05 -34.2 66.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.825 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' ' 105' ' ' LYS . 29.1 tp10 -68.76 -44.1 74.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.649 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.9 mt -63.84 -30.88 51.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.077 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.41 ' CG ' ' HA ' ' A' ' 118' ' ' LYS . 4.8 t0 -77.16 -39.31 49.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.013 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -57.04 -35.24 69.06 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -83.05 -50.08 8.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.815 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.834 HD23 HD12 ' A' ' 114' ' ' LEU . 74.7 mt -56.65 -41.42 77.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.44 -40.84 1.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.038 0.446 . . . . 0.0 111.131 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -65.5 -38.32 89.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.71 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.834 HD12 HD23 ' A' ' 111' ' ' LEU . 76.8 mt -65.57 -27.26 68.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 122.36 48.76 0.26 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.396 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -130.67 148.87 52.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.944 0.402 . . . . 0.0 110.772 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -67.08 157.11 34.37 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.828 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.41 ' HA ' ' CG ' ' A' ' 108' ' ' ASP . 1.4 ttmp? -121.38 127.5 51.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -100.0 116.08 31.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.776 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -46.61 -72.91 0.34 Allowed Glycine 0 C--O 1.228 -0.224 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.387 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.51 127.22 44.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.662 0.268 . . . . 0.0 110.996 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -97.27 151.6 19.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 57.4 t -140.46 117.12 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.977 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.6 106.49 9.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.97 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.547 ' C ' HD12 ' A' ' 126' ' ' ILE . 3.0 p-80 -143.67 168.05 20.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.015 0.436 . . . . 0.0 110.758 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.578 ' N ' HD12 ' A' ' 126' ' ' ILE . 3.3 mp -141.12 106.36 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 83.4 m -62.79 112.56 2.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 86.8 mt -72.66 -38.65 67.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.785 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 177.46 -166.84 37.53 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.555 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -129.37 139.08 51.82 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.747 0.308 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.47 HG22 HG12 ' A' ' 31' ' ' ILE . 62.3 t -90.74 111.86 24.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.019 0.438 . . . . 0.0 111.072 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -84.03 -55.67 4.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.01 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.54 ' C ' ' CD1' ' A' ' 133' ' ' PHE . 2.2 p90 -154.19 138.72 16.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.947 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.457 HG21 HD21 ' A' ' 140' ' ' LEU . 2.1 p -133.77 153.14 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.132 0.491 . . . . 0.0 111.019 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -109.01 -49.45 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.819 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -82.86 115.26 21.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -60.48 2.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.418 HD22 ' CE ' ' A' ' 142' ' ' MET . 38.0 mt -42.34 -53.85 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -38.28 -43.75 1.51 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.526 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.457 HD21 HG21 ' A' ' 134' ' ' VAL . 22.3 mt -59.4 -63.28 1.36 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.901 0.381 . . . . 0.0 110.815 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -60.66 -58.37 8.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.012 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.418 ' CE ' HD22 ' A' ' 138' ' ' LEU . 8.9 mmt -37.31 -44.66 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.083 0.468 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 146' ' ' GLU . 11.4 mttp -72.32 -62.46 1.43 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.756 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 42.4 mt -40.58 -42.45 1.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.057 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.41 ' HD3' ' C ' ' A' ' 145' ' ' LYS . 11.4 tmtt? -61.04 -39.49 90.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 143' ' ' LYS . 80.3 mm-40 -76.87 -53.23 8.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.975 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.509 ' HB3' HD12 ' A' ' 78' ' ' ILE . 3.1 mp -71.17 -6.26 38.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 144' ' ' LEU . . . -65.23 -33.92 77.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 150' ' ' GLU . 14.0 m120 -115.72 -23.2 8.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.929 0.395 . . . . 0.0 110.771 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 149' ' ' ASN . 6.1 tt0 -38.39 107.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.025 0.441 . . . . 0.0 110.808 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -65.92 145.69 55.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.633 ' HB2' HG13 ' A' ' 75' ' ' VAL . 64.1 m-85 -108.0 -32.31 7.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.688 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 139.89 -163.73 26.2 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.537 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 23.7 p -145.53 164.69 30.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.794 0.331 . . . . 0.0 110.884 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -170.45 165.07 8.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.46 ' CG2' ' HB2' ' A' ' 70' ' ' LYS . 96.6 mt -112.07 129.51 67.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 85.6 t -81.69 99.74 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.181 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -95.94 -73.66 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.766 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.612 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -97.32 177.43 5.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.109 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 83.2 mt -129.51 143.11 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.303 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -119.13 125.02 48.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.019 0.438 . . . . 0.0 110.89 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 163' ' ' LYS . 4.7 tp -106.99 120.93 43.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . 0.59 ' N ' HD12 ' A' ' 162' ' ' LEU . 50.3 mttt -125.82 153.08 44.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.01 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.448 ' HD2' HD21 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -114.72 172.2 7.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.503 ' OG ' ' CZ ' ' A' ' 174' ' ' TYR . 1.7 m -137.11 121.81 18.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 97.1 m -129.13 99.51 5.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.009 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 9.6 mt -65.95 133.24 50.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 44.2 p -137.64 155.36 75.21 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.391 0.615 . . . . 0.0 111.204 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -47.67 -32.94 17.45 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.827 2.352 . . . . 0.0 112.244 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -79.93 -26.17 40.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 149.11 173.4 19.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.607 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.55 129.43 17.82 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.339 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 49.8 mm -101.24 128.8 53.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . 0.503 ' CZ ' ' OG ' ' A' ' 165' ' ' SER . 4.4 m-85 -129.03 120.99 26.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 164' ' ' LYS . 30.5 tt0 -151.6 159.67 43.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.805 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.403 HG21 ' HG3' ' A' ' 179' ' ' ARG . 8.5 m -85.0 146.45 27.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.193 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.448 HD21 ' HD2' ' A' ' 164' ' ' LYS . 21.7 mt -110.77 -34.23 6.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.969 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.591 ' HB2' ' HE2' ' A' ' 58' ' ' LYS . . . -149.06 149.26 30.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.15 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' ARG . . . . . 0.403 ' HG3' HG21 ' A' ' 176' ' ' THR . 0.0 OUTLIER -139.68 108.59 5.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.749 -179.696 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.612 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 88.6 m-85 -99.4 100.6 11.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.822 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.059 0.457 . . . . 0.0 110.736 -179.928 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 ptt? . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.879 0.371 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.37 111.95 20.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.839 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.63 160.93 13.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -171.57 133.87 0.81 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.041 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.44 HD11 ' HB3' ' A' ' 44' ' ' LYS . 8.2 pt -98.87 115.75 40.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.089 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.485 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -115.09 166.37 11.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.562 HG21 HG22 ' A' ' 157' ' ' VAL . 36.3 mt -109.06 123.21 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.196 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -50.95 128.4 21.2 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.059 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 m -104.8 90.36 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.959 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 t -44.33 169.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.712 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -51.63 -40.6 60.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.807 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.8 p -43.09 -35.16 1.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 56.1 t -96.26 -52.1 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.274 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -46.23 -68.16 0.22 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -48.4 -40.96 27.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.455 ' HB1' ' HA ' ' A' ' 152' ' ' PHE . . . -57.19 -57.16 13.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.6 mt -59.69 -47.07 87.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.017 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.3 t -57.45 -41.79 79.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.281 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -49.01 -45.68 42.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.686 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.67 -50.93 65.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.056 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.481 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 42.0 mt-30 -45.69 -57.1 4.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -41.89 -38.41 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -75.06 -40.28 60.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.048 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.467 HG23 ' HD3' ' A' ' 143' ' ' LYS . 53.4 mt -52.25 -57.15 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.15 160.26 0.37 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.536 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.2 p -123.07 44.59 2.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.799 0.333 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -79.13 -61.43 2.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.62 -52.89 7.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.804 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.79 149.9 22.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.218 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -103.82 109.04 20.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.926 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.421 HG12 HG22 ' A' ' 131' ' ' VAL . 17.2 mt -126.41 129.01 71.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.136 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -89.64 88.66 7.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.481 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 19.1 m-85 -56.13 174.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.0 0.429 . . . . 0.0 111.045 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 128' ' ' LEU . 58.0 t -119.06 147.12 22.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -40.95 161.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.843 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.3 mtt85 -72.68 -43.59 62.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.953 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -83.34 21.37 1.16 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.044 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -122.94 4.11 9.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.05 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.432 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 24.1 m-85 -84.66 6.0 25.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.485 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 2.4 p-80 -49.9 141.05 11.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.4 mt -79.17 119.04 27.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.6 m -70.29 105.88 3.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.953 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.588 HD23 ' O ' ' A' ' 43' ' ' LEU . 4.6 tt -68.82 -44.05 74.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.44 ' HB3' HD11 ' A' ' 5' ' ' ILE . 9.1 tmtt? -162.35 125.65 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -86.47 131.41 34.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.966 0.412 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.669 ' HB3' HD11 ' A' ' 49' ' ' ILE . 21.4 mt -102.57 -60.37 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.757 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.6 -132.51 11.05 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.332 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -63.4 132.09 50.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.85 0.357 . . . . 0.0 110.993 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.669 HD11 ' HB3' ' A' ' 46' ' ' LEU . 15.2 mt -155.39 144.11 12.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 52' ' ' GLU . 47.8 p -87.87 137.84 31.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.229 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -43.67 -22.84 0.06 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 50' ' ' THR . 14.0 mt-10 -77.94 -61.47 1.99 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.618 ' O ' HD12 ' A' ' 57' ' ' ILE . 21.7 mt-30 -59.33 -25.84 64.52 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.087 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.98 -51.19 10.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -62.57 -32.39 73.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -57.56 -51.74 68.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.723 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.746 ' H ' HD12 ' A' ' 57' ' ' ILE . 4.0 mp -51.64 -54.64 11.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.171 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.456 ' HE3' ' CB ' ' A' ' 178' ' ' ALA . 42.1 mtpt -36.27 -71.42 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.7 mmtp -37.25 -58.2 0.83 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.765 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.496 HG22 HD12 ' A' ' 64' ' ' ILE . 76.7 mt -43.94 -42.7 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.6 mt -74.31 -58.73 3.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.855 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -43.88 -38.63 3.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.943 0.402 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -77.98 -66.12 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.496 HD12 HG22 ' A' ' 60' ' ' ILE . 70.2 mt -41.04 -69.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.987 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.429 ' HB2' ' CD1' ' A' ' 160' ' ' ILE . . . -36.03 -34.73 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.061 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 64' ' ' ILE . 25.4 tptp -79.78 -45.14 19.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.701 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 64' ' ' ILE . 10.2 ptpt -56.35 -14.33 2.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.005 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.494 ' HE1' HG23 ' A' ' 64' ' ' ILE . 54.0 m-85 -103.08 172.4 6.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.943 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -109.09 144.88 36.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.448 ' CD ' ' HA ' ' A' ' 158' ' ' GLU . 20.0 mmtm -61.37 110.02 1.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.581 ' O ' HG23 ' A' ' 156' ' ' ILE . 10.4 t60 -99.41 155.77 17.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.999 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -112.13 103.63 11.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.94 0.4 . . . . 0.0 110.762 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 29.3 m -106.0 167.87 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.497 ' OD1' ' N ' ' A' ' 75' ' ' VAL . 2.6 t-20 -121.88 159.37 26.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.739 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.4 p -120.29 114.07 42.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 28.5 ttt180 -164.99 147.22 8.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.858 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.419 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 95.99 137.67 9.39 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.691 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 91' ' ' TRP . 65.7 mt -131.81 136.03 57.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.735 0.303 . . . . 0.0 111.208 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -112.62 169.77 13.17 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.448 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.9 m -139.47 160.65 28.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.832 0.349 . . . . 0.0 111.174 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.594 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 11.2 m-85 -145.41 152.1 49.06 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.867 0.841 . . . . 0.0 110.773 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.3 Cg_endo -69.73 -22.28 9.7 Favored 'Cis proline' 0 C--N 1.343 0.257 0 C-N-CA 122.763 -1.766 . . . . 0.0 112.379 0.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -166.12 163.08 12.17 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.808 0.813 . . . . 0.0 110.82 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 85' ' ' ASN . 65.0 Cg_exo -47.85 -63.29 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' PRO . 6.2 m120 -37.94 -37.97 0.28 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -133.88 99.38 4.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 54.3 t -89.63 130.65 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.259 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -124.94 -39.48 2.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.1 t -134.22 122.32 40.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.15 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 82.2 mt -89.87 130.02 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.594 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 30.3 p-90 -144.66 146.3 32.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -95.62 164.29 12.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.96 149.53 17.0 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.372 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.4 t -100.31 146.94 8.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.781 0.324 . . . . 0.0 111.128 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' A' ' 96' ' ' ASN . 48.2 mm-40 -71.68 -176.61 1.66 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.503 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.5 OUTLIER -29.61 99.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -123.06 54.02 1.27 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.804 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -68.81 -42.96 76.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.948 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.554 HG21 ' HB2' ' A' ' 71' ' ' HIS . 10.1 mm -61.45 -33.01 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.023 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.426 HD11 HG21 ' A' ' 157' ' ' VAL . 58.7 mt -78.38 -19.43 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.089 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -75.15 -70.95 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.789 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.435 ' NZ ' ' HB3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -38.15 -39.88 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.0 mt -64.07 -59.09 4.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.156 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -49.79 -35.8 23.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.004 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -71.42 -38.15 71.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.715 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -67.06 -49.48 64.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.758 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 66.8 mt -52.57 -40.66 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 111' ' ' LEU . 12.9 t70 -73.78 -54.89 7.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.06 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 108' ' ' ASP . 1.7 m-20 -37.04 -47.94 0.76 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -67.94 -41.64 82.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.036 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.902 HD23 HD12 ' A' ' 114' ' ' LEU . 38.3 mt -60.91 -38.74 86.77 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.949 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -38.91 -34.6 0.16 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.009 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -76.18 -39.65 54.32 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.786 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.902 HD12 HD23 ' A' ' 111' ' ' LEU . 55.9 mt -66.67 -26.31 66.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.959 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 123.91 61.6 0.19 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.42 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.551 ' CE1' HD22 ' A' ' 111' ' ' LEU . 89.7 m-85 -140.05 162.13 35.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.028 0.442 . . . . 0.0 110.697 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -79.02 156.54 28.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.017 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.82 118.26 36.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.785 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -98.71 104.92 17.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.837 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.06 -73.87 0.38 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.352 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -93.41 124.73 37.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.042 0.449 . . . . 0.0 110.903 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -99.72 152.55 19.97 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 93.9 t -138.6 132.58 41.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.39 98.18 9.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.184 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.425 ' C ' HD12 ' A' ' 126' ' ' ILE . 4.3 p-80 -132.72 164.69 26.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.647 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.616 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.7 mp -136.99 106.7 4.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 99.7 m -64.85 112.14 3.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.965 0.412 . . . . 0.0 111.241 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.525 ' O ' HG23 ' A' ' 34' ' ' VAL . 47.0 mt -74.43 -41.41 60.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.975 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -175.24 -168.97 36.49 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.546 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -132.84 149.36 52.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.81 0.338 . . . . 0.0 110.81 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.421 HG22 HG12 ' A' ' 31' ' ' ILE . 80.5 t -97.9 113.17 31.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.31 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.61 -57.02 3.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -156.36 132.1 9.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.478 ' CG2' ' N ' ' A' ' 135' ' ' LYS . 1.7 p -131.99 157.31 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.232 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.478 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 46.0 tttt -107.21 -40.7 5.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.19 108.89 20.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.095 0.474 . . . . 0.0 110.819 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -69.48 -59.23 3.12 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.8 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 33.6 mt -41.37 -59.18 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -37.85 -35.3 0.23 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.449 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 67.0 mt -56.06 -56.4 21.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.63 0.252 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -74.92 -51.76 12.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.093 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 31.8 mmt -39.63 -37.81 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.467 ' HD3' HG23 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -68.03 -50.59 54.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 39.9 mt -42.18 -62.52 0.92 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.722 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 21.1 mmtm -38.91 -43.36 0.95 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.982 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -67.49 -43.84 79.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.038 0.447 . . . . 0.0 110.996 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.3 mp -98.78 34.48 2.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.668 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -100.41 -32.48 10.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 150' ' ' GLU . 23.8 p30 -109.11 -30.62 7.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 149' ' ' ASN . 9.3 mt-10 -35.42 122.31 0.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.814 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -83.77 162.8 20.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.739 ' HB2' HG13 ' A' ' 75' ' ' VAL . 63.3 m-85 -125.08 -36.92 2.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 137.12 -164.29 25.29 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.513 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 17.8 m -145.81 164.56 31.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.026 0.441 . . . . 0.0 110.864 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -166.33 173.88 9.62 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.855 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 71' ' ' HIS . 57.4 mt -115.98 131.52 68.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.562 HG22 HG21 ' A' ' 7' ' ' ILE . 95.6 t -86.74 98.36 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.978 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.448 ' HA ' ' CD ' ' A' ' 70' ' ' LYS . 14.6 mp0 -99.99 -70.65 0.73 Allowed 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.775 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -86.46 176.1 8.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.165 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 65' ' ' ALA . 85.0 mt -137.32 150.75 26.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.042 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -119.66 133.35 55.68 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.07 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 49.1 tp -115.89 101.68 9.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.053 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -105.58 166.27 10.57 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.971 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.605 ' HG2' HD21 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -125.64 176.42 6.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.044 0.45 . . . . 0.0 110.683 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 29.4 t -145.32 130.05 18.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.725 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 32.3 m -141.95 105.18 4.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.043 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.88 134.08 41.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 68.7 p -135.19 155.85 78.58 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.355 0.598 . . . . 0.0 111.355 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -48.13 -32.31 18.55 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.834 2.356 . . . . 0.0 112.259 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -80.42 -26.81 38.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.973 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 151.25 175.39 23.04 Favored Glycine 0 C--N 1.328 0.139 0 C-N-CA 120.839 -0.695 . . . . 0.0 112.419 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 136.3 32.54 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.564 2.176 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 47.9 mm -108.4 119.86 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.276 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -117.38 115.28 24.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -143.18 162.21 36.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.402 HG21 ' HG3' ' A' ' 179' ' ' ARG . 3.3 m -92.77 148.35 22.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.062 0.458 . . . . 0.0 110.967 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.605 HD21 ' HG2' ' A' ' 164' ' ' LYS . 20.0 mt -110.16 -37.01 5.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.958 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.456 ' CB ' ' HE3' ' A' ' 58' ' ' LYS . . . -156.51 141.21 16.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.025 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' ARG . . . . . 0.428 ' HD3' ' N ' ' A' ' 179' ' ' ARG . 1.1 mpp_? -127.64 105.02 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.775 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 10.2 m-85 -92.33 98.27 11.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.8 ptt? . . . . . 0 N--CA 1.456 -0.139 0 CA-C-O 120.657 0.265 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -76.54 75.68 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.749 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.778 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -68.72 149.14 49.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.285 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.493 ' O ' HD12 ' A' ' 162' ' ' LEU . 45.0 p90 -163.73 131.99 3.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.966 0.412 . . . . 0.0 110.704 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.841 HD11 ' HB3' ' A' ' 44' ' ' LYS . 32.5 pt -87.41 140.68 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -145.18 165.42 28.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.8 mt -109.5 136.69 44.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.224 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.93 132.93 55.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.752 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.427 HG23 ' HG3' ' A' ' 14' ' ' ARG . 3.0 m -109.86 91.4 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 t -44.62 168.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.616 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -52.73 -33.84 49.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.039 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.6 p -47.89 -35.04 9.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.0 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 96.7 t -96.78 -58.2 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.112 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.731 ' O ' HG23 ' A' ' 18' ' ' VAL . 77.7 mtt180 -40.71 -61.04 1.01 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.866 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -55.68 -42.57 75.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.48 -62.81 1.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.4 mt -52.22 -40.41 61.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.743 HG21 ' HD3' ' A' ' 36' ' ' ARG . 98.0 t -61.2 -40.21 85.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.023 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.7 ttt85 -53.41 -45.42 69.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.676 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.53 -51.7 68.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 24' ' ' ILE . 53.8 mt-30 -46.25 -60.9 2.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -40.35 -38.92 0.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.805 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.534 ' CD2' HD11 ' A' ' 147' ' ' LEU . 48.5 t80 -77.1 -32.94 56.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.974 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.481 ' N ' ' O ' ' A' ' 21' ' ' GLN . 69.1 mt -67.63 -62.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.21 164.31 0.17 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.473 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.4 p -114.97 39.77 2.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.072 0.463 . . . . 0.0 110.961 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -58.91 -64.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.719 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -92.83 -41.7 9.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.44 146.9 25.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.989 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.583 ' HG3' ' CZ ' ' A' ' 133' ' ' PHE . 1.7 mmmp? -104.62 116.64 32.4 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.746 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.715 HG12 HG22 ' A' ' 131' ' ' VAL . 35.9 mt -135.26 121.94 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.089 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -83.32 81.11 8.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.938 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.48 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 13.3 m-85 -56.98 162.68 2.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.981 0.419 . . . . 0.0 110.791 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.513 HG12 ' N ' ' A' ' 35' ' ' GLU . 22.0 t -104.81 160.78 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.184 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.513 ' N ' HG12 ' A' ' 34' ' ' VAL . 58.8 mm-40 -51.62 165.99 0.15 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.743 ' HD3' HG21 ' A' ' 18' ' ' VAL . 7.0 mtt85 -74.28 -41.73 60.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.2 pm0 -87.3 26.44 1.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.948 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -126.61 6.98 6.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -87.59 6.45 34.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -48.34 117.85 2.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.479 HG12 HD11 ' A' ' 126' ' ' ILE . 56.6 mt -54.73 125.01 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.317 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.1 m -78.83 102.7 8.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.013 0.435 . . . . 0.0 111.024 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 43' ' ' LEU . 4.6 tt -64.53 -39.43 93.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.841 ' HB3' HD11 ' A' ' 5' ' ' ILE . 19.8 tttm -166.09 140.12 4.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.682 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -96.08 140.0 31.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.5 mt -110.84 -64.18 1.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.014 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.55 -134.9 12.51 Favored Glycine 0 C--O 1.227 -0.315 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.33 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -66.11 133.99 51.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.71 0.291 . . . . 0.0 111.034 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.778 HD12 ' HB3' ' A' ' 3' ' ' ALA . 11.9 mt -152.96 146.52 14.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.054 0.454 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.7 p -95.5 144.63 25.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.285 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -47.47 -28.66 2.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -71.94 -64.87 0.85 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.446 ' O ' HD12 ' A' ' 57' ' ' ILE . 78.0 mm-40 -51.19 -24.1 3.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.06 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.47 ' HA ' HD13 ' A' ' 57' ' ' ILE . . . -52.61 -39.19 61.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.119 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -65.52 -19.8 66.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.988 0.423 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.534 ' HG2' HD21 ' A' ' 114' ' ' LEU . 4.6 tp10 -77.33 -58.27 3.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.964 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.796 ' H ' HD12 ' A' ' 57' ' ' ILE . 3.9 mp -39.23 -61.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.711 ' HE2' ' HB2' ' A' ' 178' ' ' ALA . 92.0 mttt -34.53 -72.21 0.06 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.03 0.443 . . . . 0.0 111.075 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' LYS . 63.1 mmtt -34.31 -54.18 0.51 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.041 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 67.7 mt -51.24 -52.56 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.219 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.9 mt -60.07 -56.93 15.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -46.93 -40.23 13.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.788 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -71.5 -52.99 15.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.561 HD13 ' HB3' ' A' ' 106' ' ' GLU . 65.6 mt -61.89 -65.35 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.521 ' HB2' HD12 ' A' ' 160' ' ' ILE . . . -43.08 -21.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.16 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' ILE . 3.5 tppp? -91.74 -50.63 5.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.061 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.487 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 7.9 ptmt -58.32 -13.89 6.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.827 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.45 ' CE2' HG23 ' A' ' 64' ' ' ILE . 46.2 m-85 -107.61 163.99 12.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.93 176.29 5.2 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.754 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -114.84 104.56 12.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.096 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.626 ' O ' HG23 ' A' ' 156' ' ' ILE . 4.4 t60 -93.64 173.01 7.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.472 ' H ' ' CD2' ' A' ' 71' ' ' HIS . 44.3 tt0 -106.98 109.99 22.02 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 20.7 m -110.12 172.06 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.311 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.507 ' OD1' ' N ' ' A' ' 75' ' ' VAL . 2.0 t-20 -120.73 165.34 15.24 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.916 0.389 . . . . 0.0 110.838 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.507 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 1.8 p -129.61 109.3 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.104 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.405 ' C ' ' HD3' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -156.89 146.14 20.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.889 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.74 145.56 14.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.374 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.8 mt -138.77 130.23 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.911 0.386 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.418 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -113.38 164.52 12.04 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.385 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.67 177.35 7.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 120.678 0.275 . . . . 0.0 111.242 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.576 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 10.6 m-85 -162.22 147.49 10.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.791 0.805 . . . . 0.0 110.763 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 52.5 Cg_endo -69.91 -29.65 5.63 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.797 -1.751 . . . . 0.0 112.207 0.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -156.57 160.18 30.89 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.597 0.713 . . . . 0.0 110.861 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -47.67 -61.93 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.85 2.367 . . . . 0.0 112.365 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -38.94 -36.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -134.72 89.26 2.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 78.0 t -82.14 133.38 29.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -127.79 -35.13 2.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 76.2 t -135.48 116.51 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.672 ' CD1' HD13 ' A' ' 31' ' ' ILE . 71.9 mt -87.15 127.71 40.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.576 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 41.5 p-90 -142.78 145.87 33.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.985 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.41 165.01 12.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.038 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.96 155.25 17.84 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.592 -0.814 . . . . 0.0 112.601 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 71.3 t -110.63 148.39 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.703 0.287 . . . . 0.0 111.057 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.518 ' O ' ' C ' ' A' ' 96' ' ' ASN . 34.3 mm-40 -71.01 -176.39 1.37 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.004 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.518 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.7 p30 -27.73 113.42 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -129.99 38.15 3.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -49.54 -47.76 48.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.478 HD13 ' HE2' ' A' ' 102' ' ' LYS . 18.7 mm -58.15 -51.39 71.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.265 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 100' ' ' ILE . 53.7 mt -64.45 -12.79 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.151 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.452 ' HG3' ' CD1' ' A' ' 122' ' ' PHE . 14.9 ttmt -85.61 -62.45 1.52 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.478 ' HE2' HD13 ' A' ' 99' ' ' ILE . 9.1 pttt -50.78 -26.26 5.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.964 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.429 HG12 ' CG ' ' A' ' 68' ' ' TYR . 91.6 mt -78.07 -51.31 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.993 0.425 . . . . 0.0 111.24 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.53 -38.13 43.02 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.268 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -65.84 -42.36 90.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.561 ' HB3' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -61.7 -53.54 54.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.77 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 59.2 mt -48.8 -35.1 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.037 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 110' ' ' GLU . 4.2 t0 -79.99 -56.62 4.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.901 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 108' ' ' ASP . 5.7 t70 -34.14 -35.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.739 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 108' ' ' ASP . 59.6 mm-40 -83.19 -51.63 7.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.73 HD23 HD12 ' A' ' 114' ' ' LEU . 59.2 mt -52.58 -44.04 65.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 111' ' ' LEU . . . -36.37 -39.73 0.2 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.418 ' HD3' ' C ' ' A' ' 113' ' ' LYS . 8.6 tmtt? -66.73 -43.42 84.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.73 HD12 HD23 ' A' ' 111' ' ' LEU . 23.3 mt -67.27 -28.34 67.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.732 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 120.99 65.32 0.25 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.379 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.504 ' CE1' HD22 ' A' ' 111' ' ' LEU . 81.3 m-85 -137.25 154.74 50.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.839 0.352 . . . . 0.0 111.042 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -82.37 136.15 35.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -109.69 129.65 55.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -99.54 123.12 43.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.933 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.14 -67.52 2.08 Favored Glycine 0 C--N 1.329 0.177 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.393 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -87.2 133.36 33.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.452 ' CD1' ' HG3' ' A' ' 101' ' ' LYS . 2.0 t80 -99.51 133.12 44.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 5.2 t -127.79 120.24 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.243 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.79 98.69 11.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.127 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.489 ' C ' HD12 ' A' ' 126' ' ' ILE . 4.1 p-80 -135.23 164.64 27.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 126' ' ' ILE . 3.7 mp -135.89 107.41 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 90.6 m -61.26 116.66 4.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.29 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 48.8 mt -81.08 -36.34 30.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.026 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 173.09 -177.88 45.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.513 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -118.17 144.28 45.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.948 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.715 HG22 HG12 ' A' ' 31' ' ' ILE . 94.8 t -91.35 127.33 43.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.226 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -90.69 -58.33 2.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.583 ' CZ ' ' HG3' ' A' ' 30' ' ' LYS . 36.8 p90 -164.38 133.74 3.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.792 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.657 HG11 HD21 ' A' ' 140' ' ' LEU . 2.0 p -129.02 154.16 39.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.415 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 18.9 tptp -107.75 -42.84 4.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.991 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -77.44 105.34 8.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -69.83 -62.02 1.55 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 32.1 mt -44.72 -48.2 10.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.97 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -46.43 -42.97 14.18 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.332 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.657 HD21 HG11 ' A' ' 134' ' ' VAL . 93.9 mt -48.37 -60.77 2.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.784 0.326 . . . . 0.0 110.868 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -68.27 -53.24 25.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.049 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 8.1 mmt -41.99 -40.7 2.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.788 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.43 ' HA ' ' CD ' ' A' ' 146' ' ' GLU . 13.8 ttmt -71.02 -38.92 72.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.539 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 62.7 mt -56.44 -40.18 74.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -64.64 -62.05 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.763 ' HG3' HD13 ' A' ' 147' ' ' LEU . 5.8 pt-20 -52.34 -31.41 33.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.002 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.763 HD13 ' HG3' ' A' ' 146' ' ' GLU . 10.3 mp -108.33 37.83 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 144' ' ' LEU . . . -105.6 -38.84 6.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.112 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -105.38 -21.45 13.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.719 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -39.97 106.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.786 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -70.42 154.55 41.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.753 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.425 ' HB2' HG13 ' A' ' 75' ' ' VAL . 40.9 m-85 -117.25 -29.44 5.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.867 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 131.68 -163.62 23.71 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.327 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 18.3 p -144.22 168.2 20.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.052 0.453 . . . . 0.0 110.883 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -169.08 159.65 9.32 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.012 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.626 HG23 ' O ' ' A' ' 71' ' ' HIS . 60.2 mt -107.28 131.94 56.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.107 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 63.0 t -73.11 100.04 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.049 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -99.63 -71.48 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.405 ' CB ' ' HA ' ' A' ' 181' ' ' GLU . . . -99.18 155.17 17.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.03 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . 0.521 HD12 ' HB2' ' A' ' 65' ' ' ALA . 97.3 mt -116.09 146.44 20.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.067 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -128.28 139.9 52.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.146 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 4' ' ' PHE . 12.1 tp -121.91 123.04 40.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.926 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -123.26 162.15 23.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.534 ' HB3' HD11 ' A' ' 177' ' ' LEU . 7.7 pttp -125.13 149.01 48.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 40.8 t -117.89 132.53 56.41 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 96.8 m -142.71 105.97 4.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 15.5 mt -75.87 132.75 40.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.033 0.444 . . . . 0.0 110.777 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 76.7 p -135.1 155.4 79.06 Favored Pre-proline 0 N--CA 1.453 -0.286 0 CA-C-O 121.419 0.628 . . . . 0.0 111.318 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.98 -32.1 17.3 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.752 2.301 . . . . 0.0 112.205 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -80.22 -26.52 39.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 151.16 173.67 21.32 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.47 -0.871 . . . . 0.0 112.447 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.59 130.66 19.95 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.559 2.173 . . . . 0.0 112.497 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 39.0 mm -102.83 129.51 54.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.986 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -131.54 107.32 8.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.021 0.439 . . . . 0.0 110.971 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -134.68 150.23 50.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.667 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 29.5 m -77.51 151.32 34.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' A' ' 164' ' ' LYS . 26.1 mt -115.6 -41.5 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.711 ' HB2' ' HE2' ' A' ' 58' ' ' LYS . . . -160.16 145.45 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.998 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 179' ' ' ARG . . . . . 0.434 ' HD3' ' N ' ' A' ' 179' ' ' ARG . 0.0 OUTLIER -141.91 134.71 28.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -116.07 99.17 7.06 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . 0.405 ' HA ' ' CB ' ' A' ' 159' ' ' ALA . 14.1 tt0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.49 ' O ' ' CG ' ' A' ' 1' ' ' MET . 8.0 ttt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.05 0.452 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.3 mtt85 -63.99 91.3 0.07 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.867 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -88.63 153.46 21.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.25 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -168.03 146.07 4.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.8 pt -97.65 154.6 3.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.661 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -148.45 160.48 43.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.997 HG21 HG22 ' A' ' 157' ' ' VAL . 75.8 mt -104.69 106.08 19.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.046 0.45 . . . . 0.0 111.052 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -35.45 139.75 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.467 HG23 ' HG3' ' A' ' 14' ' ' ARG . 2.7 m -122.32 88.79 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -43.68 161.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' HA ' ' NH1' ' A' ' 14' ' ' ARG . 11.7 pt-20 -44.27 -35.34 2.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.5 t -43.09 -37.0 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.432 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 86.0 t -98.03 -60.28 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.346 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.584 ' O ' HG23 ' A' ' 18' ' ' VAL . 9.3 mtm105 -41.08 -56.03 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -53.96 -33.52 57.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -68.36 -60.19 2.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.1 mt -51.15 -43.26 61.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 14' ' ' ARG . 94.9 t -60.25 -41.89 88.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.965 0.412 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -50.46 -43.03 55.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.43 -48.46 72.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.944 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.787 ' HA ' HD12 ' A' ' 24' ' ' ILE . 53.7 mt-30 -48.37 -58.51 4.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.99 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -42.45 -42.07 3.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -70.41 -49.37 49.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.787 HD12 ' HA ' ' A' ' 21' ' ' GLN . 77.6 mt -41.46 -52.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.51 129.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.353 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.6 p -104.87 51.72 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.008 0.432 . . . . 0.0 110.927 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -102.17 -36.41 8.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.472 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 30.3 mm-40 -95.92 -57.67 2.3 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.776 0.322 . . . . 0.0 110.817 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.407 ' CB ' ' HB ' ' A' ' 134' ' ' VAL . . . -97.32 133.69 41.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.019 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -81.43 111.76 18.07 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.004 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.519 HG12 HG22 ' A' ' 131' ' ' VAL . 9.9 mt -133.91 125.46 48.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.237 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -91.51 85.07 5.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.026 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.66 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 19.8 m-85 -56.76 173.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.8 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.6 t -118.27 153.1 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.077 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -46.05 170.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -80.04 -41.06 26.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.044 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -83.15 18.85 1.58 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.655 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -124.52 15.11 8.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.793 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -96.64 9.23 42.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.661 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 5.2 p-80 -57.41 128.91 39.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.951 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.6 mt -60.18 115.33 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.245 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.5 m -69.2 89.34 0.45 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.234 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.454 ' O ' ' CE1' ' A' ' 122' ' ' PHE . 5.5 tt -49.52 -54.18 19.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.793 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.455 ' HD2' ' CD2' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -152.92 152.43 31.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -99.96 148.58 24.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.455 ' CD2' ' HD2' ' A' ' 44' ' ' LYS . 14.7 mt -116.45 -60.17 1.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.74 -138.02 13.65 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -73.87 130.45 39.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 111.02 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.867 HD12 ' HB3' ' A' ' 3' ' ' ALA . 25.2 mt -139.79 148.52 22.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.956 0.408 . . . . 0.0 111.253 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.0 p -96.97 142.8 28.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.97 0.414 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -41.72 -38.76 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.764 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -62.28 -46.43 88.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -72.24 -31.43 65.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.684 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -39.82 -33.28 0.19 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -78.84 -37.17 41.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.665 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 53' ' ' GLN . 4.7 mm-40 -59.95 -47.71 84.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.019 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 57' ' ' ILE . 1.5 mp -52.71 -51.6 34.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.091 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.568 ' HE2' ' HB2' ' A' ' 178' ' ' ALA . 5.1 mtpm? -59.09 -48.88 79.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -53.82 -55.17 28.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.764 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.9 mt -48.05 -53.12 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.995 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.0 mt -53.35 -50.14 65.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -44.04 -45.03 7.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.054 0.454 . . . . 0.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -68.83 -52.31 31.31 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.952 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.521 HG21 HG23 ' A' ' 103' ' ' ILE . 81.4 mt -59.14 -65.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.155 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -42.98 -28.27 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.192 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -87.03 -35.23 18.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.552 ' HD2' ' CE2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -72.01 -16.13 62.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.808 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.562 ' CD2' HG12 ' A' ' 103' ' ' ILE . 49.1 m-85 -109.01 171.16 7.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.064 0.459 . . . . 0.0 110.833 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -118.91 173.95 6.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.447 ' HB2' ' CG2' ' A' ' 156' ' ' ILE . 10.2 ptpp? -98.24 111.15 23.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.856 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.411 ' O ' HG23 ' A' ' 156' ' ' ILE . 52.2 t60 -99.54 169.28 9.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.009 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -105.13 99.28 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.173 0.511 . . . . 0.0 110.749 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.6 m -100.42 161.84 3.33 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.906 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -115.33 156.89 24.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.825 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.479 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.6 p -123.79 112.59 33.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.184 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.468 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 14.1 ttt180 -162.33 148.52 13.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.845 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.468 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 95.65 140.73 11.18 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.393 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.533 HG23 ' O ' ' A' ' 91' ' ' TRP . 20.1 mt -140.04 126.0 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 111.061 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.09 172.82 18.44 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.577 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.5 m -138.48 163.62 28.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.891 0.377 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.7 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 11.6 m-85 -145.7 154.65 52.24 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.681 0.753 . . . . 0.0 110.703 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 53.9 Cg_endo -69.68 -17.26 11.91 Favored 'Cis proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.748 -1.772 . . . . 0.0 112.407 0.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.409 ' N ' ' ND2' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -171.27 161.09 5.27 Favored Pre-proline 0 C--O 1.233 0.201 0 CA-C-O 121.503 0.668 . . . . 0.0 110.868 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -48.28 -58.24 1.87 Allowed 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.751 2.301 . . . . 0.0 112.176 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -39.65 -40.04 0.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -134.33 94.72 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.1 t -85.24 127.2 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.222 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -124.27 -33.73 3.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.725 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 74.3 t -135.89 122.67 33.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.214 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 66.8 mt -93.46 135.61 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.7 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 37.1 p-90 -152.62 144.75 23.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.017 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.58 169.66 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.76 151.86 17.41 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 76.1 t -104.88 144.16 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.772 0.32 . . . . 0.0 111.241 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 96' ' ' ASN . 40.2 mm-40 -72.7 -176.56 2.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.042 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.495 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -30.38 100.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.41 ' HB2' HD12 ' A' ' 100' ' ' ILE . 10.7 p-10 -119.63 42.36 2.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.9 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -45.34 -57.11 4.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.9 mm -48.51 -59.82 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.14 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.41 HD12 ' HB2' ' A' ' 97' ' ' ASP . 33.7 mt -44.03 -51.51 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -50.7 -54.5 22.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.949 0.404 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -50.6 -53.69 28.67 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.619 HG22 ' CD1' ' A' ' 107' ' ' ILE . 64.4 mt -59.65 -39.13 78.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.79 -33.74 72.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.209 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -80.58 -37.5 31.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -67.3 -43.0 82.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.619 ' CD1' HG22 ' A' ' 103' ' ' ILE . 63.5 mt -61.56 -48.85 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.188 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 109' ' ' ASP . 12.3 t0 -70.41 -55.03 10.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.745 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 108' ' ' ASP . 0.1 OUTLIER -36.55 -48.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.973 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -67.43 -49.5 63.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.822 HD23 HD12 ' A' ' 114' ' ' LEU . 33.4 mt -58.11 -26.67 62.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.58 -22.32 3.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.057 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -83.74 -41.19 17.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.822 HD12 HD23 ' A' ' 111' ' ' LEU . 66.5 mt -67.92 -24.14 65.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.858 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 121.18 63.3 0.24 Allowed Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.312 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -138.9 146.61 41.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.929 0.395 . . . . 0.0 110.853 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -67.71 148.78 50.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -113.79 123.3 49.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.999 0.428 . . . . 0.0 110.733 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -99.55 112.44 24.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -54.08 -71.4 0.71 Allowed Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.593 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -90.72 116.22 28.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.833 0.349 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.454 ' CE1' ' O ' ' A' ' 43' ' ' LEU . 40.4 t80 -98.04 147.4 24.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.014 0.435 . . . . 0.0 110.813 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 58.0 t -135.37 128.47 48.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.129 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -85.47 102.96 13.92 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -139.76 163.68 31.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.031 0.443 . . . . 0.0 110.801 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.581 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.6 mp -137.25 109.52 7.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.349 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 91.2 m -66.65 116.42 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.247 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.6 mt -80.7 -34.41 34.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 174.99 -176.5 47.14 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.413 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 48.8 mtt85 -122.02 146.59 47.02 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 110.769 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.519 HG22 HG12 ' A' ' 31' ' ' ILE . 68.7 t -97.47 125.03 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -93.71 -57.89 2.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -157.34 137.31 12.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.737 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' A' ' 135' ' ' LYS . 1.5 p -133.47 154.36 38.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.067 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.443 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 2.5 mptm? -104.75 -36.83 7.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.056 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -90.12 117.91 29.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.029 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -83.03 -68.23 0.72 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.899 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 31.4 mt -38.29 -56.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -39.36 -42.4 1.8 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.448 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 92.0 mt -46.76 -58.68 3.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.642 0.258 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -71.87 -59.18 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.253 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 13.6 mmt -40.93 -38.07 0.9 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.143 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -72.45 -58.37 3.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 50.7 mt -47.52 -38.1 13.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -51.93 -38.61 57.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.748 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -73.88 -41.65 61.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.646 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.458 ' N ' ' CD1' ' A' ' 147' ' ' LEU . 1.9 mp -85.89 8.29 20.81 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.987 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -87.06 -23.4 24.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -121.0 -19.61 7.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -53.11 104.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -65.21 157.17 29.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.668 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.479 ' HB2' HG13 ' A' ' 75' ' ' VAL . 43.5 m-85 -117.49 -32.0 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 134.24 -155.59 21.95 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.6 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 32.7 p -147.02 173.28 12.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.774 0.321 . . . . 0.0 111.003 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -173.8 170.37 3.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.137 0.494 . . . . 0.0 110.616 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.447 ' CG2' ' HB2' ' A' ' 70' ' ' LYS . 58.0 mt -121.25 136.72 57.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.047 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.997 HG22 HG21 ' A' ' 7' ' ' ILE . 53.4 t -83.11 101.81 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 -97.73 -70.26 0.73 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.183 0.516 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.901 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -99.0 179.35 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.058 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 161' ' ' GLU . 66.2 mt -134.4 155.25 38.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.191 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.47 ' N ' HG22 ' A' ' 160' ' ' ILE . 27.9 tt0 -131.13 138.37 49.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 11.1 tp -120.23 124.9 46.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.787 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -125.01 173.21 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.726 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.633 ' HE2' HD21 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -123.57 171.33 9.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.033 179.757 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 39.2 t -144.78 121.69 11.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 88.8 m -137.08 105.04 5.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 12.2 mt -74.78 139.47 43.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 10.9 p -143.25 155.88 61.31 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.631 0.729 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -47.76 -35.52 23.94 Favored 'Trans proline' 0 CA--C 1.527 0.126 0 C-N-CA 122.685 2.256 . . . . 0.0 112.295 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -79.87 -21.94 43.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 145.44 172.82 16.14 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.38 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . 0.456 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 53.1 Cg_endo -69.7 144.13 53.35 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.855 2.37 . . . . 0.0 112.252 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 27.4 mm -116.69 123.03 71.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -118.84 126.25 51.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.828 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -147.64 147.69 30.28 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.716 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.415 HG21 ' HG3' ' A' ' 179' ' ' ARG . 9.1 m -80.53 142.64 33.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.022 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.633 HD21 ' HE2' ' A' ' 164' ' ' LYS . 19.1 mt -109.62 -36.3 5.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.927 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.568 ' HB2' ' HE2' ' A' ' 58' ' ' LYS . . . -155.59 144.85 20.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.034 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 179' ' ' ARG . . . . . 0.415 ' HG3' HG21 ' A' ' 176' ' ' THR . 72.6 mtm180 -137.26 111.84 8.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.761 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.901 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 55.3 m-85 -100.7 97.86 8.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.793 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.843 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 tpt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.792 0.33 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -79.21 64.46 4.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.548 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -63.58 143.95 57.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 163' ' ' LYS . 20.7 p90 -156.39 127.45 6.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.99 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.826 HD11 ' HB3' ' A' ' 44' ' ' LYS . 45.4 pt -85.16 142.74 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.08 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.738 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -142.96 162.04 36.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.225 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.74 HG21 HG22 ' A' ' 157' ' ' VAL . 63.8 mt -107.51 124.75 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.028 0.442 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.05 138.92 24.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.891 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.588 HG23 ' HG3' ' A' ' 14' ' ' ARG . 2.8 m -116.05 90.03 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.091 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 9' ' ' VAL . 37.1 t -37.66 156.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.961 0.41 . . . . 0.0 110.734 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -47.76 -26.13 1.49 Allowed 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.788 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.7 p -56.44 -35.64 68.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 37.2 t -94.18 -46.85 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.168 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.588 ' HG3' HG23 ' A' ' 9' ' ' VAL . 53.2 mtt180 -52.19 -53.79 38.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.759 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -64.96 -23.49 67.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.48 -58.2 3.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.13 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.8 mt -58.38 -46.27 86.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.805 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 14' ' ' ARG . 74.2 t -57.88 -40.8 77.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.082 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -51.08 -45.73 61.55 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.793 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.73 -44.06 97.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.279 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.69 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 51.9 mt-30 -53.05 -55.12 26.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.806 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -44.43 -38.91 4.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -77.21 -36.08 55.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.687 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 21' ' ' GLN . 96.5 mt -60.93 -60.18 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.85 166.28 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.383 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.8 m -119.84 50.83 1.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.981 0.42 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -54.78 -69.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.033 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -94.51 -34.69 12.59 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.799 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.51 162.62 18.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.5 ' HG2' ' CE2' ' A' ' 133' ' ' PHE . 57.3 tptt -124.42 93.14 3.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.8 mt -110.67 154.05 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.237 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -113.98 86.67 2.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.976 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.69 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 20.3 m-85 -58.34 167.41 1.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.097 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 35' ' ' GLU . 30.0 t -116.03 154.91 17.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.847 0.356 . . . . 0.0 111.17 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.422 ' N ' HG12 ' A' ' 34' ' ' VAL . 5.7 mm-40 -47.97 170.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -81.24 -43.22 19.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.813 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.24 13.81 1.74 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.053 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -118.32 8.62 12.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.451 ' O ' HG21 ' A' ' 126' ' ' ILE . 18.2 m-85 -91.95 9.81 31.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.135 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.738 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 1.4 p-80 -58.33 135.19 57.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.716 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 72.6 mt -68.07 107.09 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.984 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 m -58.52 88.08 0.01 OUTLIER 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.245 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.664 HD23 ' O ' ' A' ' 43' ' ' LEU . 3.9 tt -50.09 -41.24 47.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.954 0.407 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.826 ' HB3' HD11 ' A' ' 5' ' ' ILE . 26.6 tttm -167.62 145.34 4.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.816 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.446 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 36.6 t80 -98.9 133.67 42.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.97 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.467 ' HB3' HD11 ' A' ' 49' ' ' ILE . 64.4 mt -100.1 -63.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.029 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.08 -127.55 8.98 Favored Glycine 0 N--CA 1.454 -0.135 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.53 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -82.42 133.8 35.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.872 0.368 . . . . 0.0 111.074 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.604 HG22 ' N ' ' A' ' 50' ' ' THR . 51.0 mt -145.1 164.95 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.604 ' N ' HG22 ' A' ' 49' ' ' ILE . 55.1 p -104.75 132.24 51.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.867 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' THR . 16.1 tt0 -37.39 -30.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 50' ' ' THR . 5.6 mm-40 -75.01 -59.78 2.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 56' ' ' GLU . 34.5 mt-30 -55.05 -31.8 61.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -41.12 -51.2 3.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.004 0.431 . . . . 0.0 111.423 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -55.52 -33.29 63.64 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 53' ' ' GLN . 4.8 tp10 -62.37 -56.29 19.77 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.012 0.434 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.587 ' H ' HD12 ' A' ' 57' ' ' ILE . 2.7 mp -40.13 -43.18 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.125 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.495 ' N ' ' HE3' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -62.46 -65.43 0.69 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.842 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -37.83 -45.23 0.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.019 0.438 . . . . 0.0 110.936 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 89.9 mt -60.05 -51.5 72.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.119 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.6 -37.61 79.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -56.83 -35.47 68.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.07 -58.79 2.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.689 HG21 HG23 ' A' ' 103' ' ' ILE . 48.8 mt -47.14 -61.08 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.084 0.469 . . . . 0.0 111.062 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.55 -17.88 0.36 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -102.26 -23.76 13.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.021 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.486 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 7.8 ptmt -81.16 -6.66 59.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.537 ' CD2' HG12 ' A' ' 103' ' ' ILE . 42.5 m-85 -114.45 163.24 15.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.016 0.436 . . . . 0.0 110.951 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 tppt? -98.47 150.66 21.43 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -77.81 98.64 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.735 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -97.34 155.52 16.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.004 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -105.74 115.41 30.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.6 m -111.15 165.1 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.635 HD22 ' N ' ' A' ' 75' ' ' VAL . 0.4 OUTLIER -116.22 155.52 28.17 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.895 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.847 HG13 ' HB2' ' A' ' 152' ' ' PHE . 3.8 p -119.26 105.29 17.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.231 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.495 ' NH2' ' CG ' ' A' ' 151' ' ' ASP . 16.1 ttm105 -150.94 146.78 26.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.043 0.449 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.74 147.55 22.69 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.4 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.547 HG23 ' O ' ' A' ' 91' ' ' TRP . 26.9 mt -138.58 134.53 43.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 120.865 0.365 . . . . 0.0 111.005 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.491 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -113.14 152.03 18.11 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.392 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.7 m -122.06 176.11 4.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.897 0.38 . . . . 0.0 111.18 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.744 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 11.5 m-85 -160.73 151.76 15.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.493 0.663 . . . . 0.0 110.769 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.4 Cg_endo -69.43 -21.22 10.03 Favored 'Cis proline' 0 C--O 1.233 0.227 0 C-N-CA 122.634 -1.819 . . . . 0.0 112.483 -0.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.45 ' CG ' ' C ' ' A' ' 82' ' ' PRO . 0.4 OUTLIER -164.39 160.63 16.09 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.594 0.712 . . . . 0.0 110.97 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -47.91 -60.03 1.03 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.658 2.239 . . . . 0.0 112.429 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -41.48 -37.38 1.06 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -133.33 97.0 3.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.141 0.496 . . . . 0.0 110.844 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.5 t -89.05 129.44 40.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.344 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -124.6 -34.82 2.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.693 HG22 ' HG3' ' A' ' 130' ' ' ARG . 85.1 t -134.82 116.66 21.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.071 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 69.8 mt -88.45 129.5 39.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.007 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.744 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 26.6 p-90 -145.59 144.04 30.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.945 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.14 161.98 15.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.07 143.77 15.03 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.445 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.416 ' CG1' ' OD2' ' A' ' 97' ' ' ASP . 88.6 t -102.35 151.05 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.956 0.408 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.487 ' O ' ' C ' ' A' ' 96' ' ' ASN . 4.3 mm-40 -71.27 -176.55 1.5 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.763 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.487 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.1 t30 -31.14 113.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.84 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.416 ' OD2' ' CG1' ' A' ' 94' ' ' VAL . 63.4 m-20 -121.22 30.9 6.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.705 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 97' ' ' ASP . 5.0 tp10 -35.8 -60.62 0.52 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 100' ' ' ILE . 10.7 mm -48.52 -71.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.071 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 99' ' ' ILE . 71.8 mt -33.95 -61.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.17 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -39.84 -48.75 2.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.066 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -54.35 -52.78 60.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.768 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.689 HG23 HG21 ' A' ' 64' ' ' ILE . 83.9 mt -58.91 -45.16 91.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.078 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.15 -31.57 63.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.14 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -85.11 -39.25 18.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.818 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.98 -43.17 99.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.82 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.518 HD11 HG22 ' A' ' 103' ' ' ILE . 63.3 mt -59.03 -45.64 92.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.017 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -71.45 -43.05 67.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -47.02 -32.84 4.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -86.84 -44.22 11.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.939 HD23 HD12 ' A' ' 114' ' ' LEU . 48.9 mt -60.89 -28.11 68.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.38 -33.41 5.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.239 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 113' ' ' LYS . 0.7 OUTLIER -79.24 -36.97 39.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.763 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.939 HD12 HD23 ' A' ' 111' ' ' LEU . 23.1 mt -70.43 -16.8 62.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.888 0.375 . . . . 0.0 111.018 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 115.59 54.98 0.36 Allowed Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.511 ' CG ' ' HB3' ' A' ' 111' ' ' LEU . 40.1 m-85 -136.5 171.48 14.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.027 0.442 . . . . 0.0 110.876 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -127.13 141.11 51.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -106.96 150.03 26.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.886 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 120' ' ' GLY . 6.5 tt0 -99.61 122.94 43.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.852 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 119' ' ' GLU . . . -38.36 -70.48 0.29 Allowed Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.353 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -99.29 128.23 45.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.095 0.474 . . . . 0.0 111.092 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -100.12 141.75 32.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 11.2 t -125.82 124.46 66.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.031 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.12 96.05 10.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -137.82 167.88 20.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.615 ' N ' HD12 ' A' ' 126' ' ' ILE . 1.3 mp -137.23 104.81 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.262 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 90.3 m -59.66 122.99 15.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.044 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 77.5 mt -88.48 -28.24 20.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 168.36 -175.94 42.9 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.386 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.693 ' HG3' HG22 ' A' ' 89' ' ' VAL . 1.6 mpp_? -125.6 145.22 50.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.987 0.422 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.9 t -92.73 122.01 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.072 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -91.69 -54.79 3.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.801 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.5 ' CE2' ' HG2' ' A' ' 30' ' ' LYS . 26.6 p90 -157.01 129.65 7.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.511 HG21 HD21 ' A' ' 140' ' ' LEU . 1.9 p -131.69 154.02 39.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.188 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.424 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 29.9 tptt -114.82 -40.31 3.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -79.45 88.02 5.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -61.74 -60.73 3.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.78 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 32.3 mt -44.98 -49.21 11.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.858 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -46.76 -45.13 18.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.657 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.511 HD21 HG21 ' A' ' 134' ' ' VAL . 84.4 mt -47.35 -63.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.63 -60.01 3.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.035 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.7 mmt -39.86 -35.8 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.781 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -71.56 -53.46 13.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.809 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 77.3 mt -40.67 -62.22 0.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.878 0.37 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -39.11 -41.29 0.8 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.973 0.416 . . . . 0.0 111.058 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -67.97 -45.72 73.38 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 4.8 mp -101.05 35.49 2.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -97.57 -35.85 10.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.224 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 150' ' ' GLU . 62.4 m-80 -110.69 -23.96 10.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.847 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 149' ' ' ASN . 6.7 tp10 -35.55 115.4 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . 0.495 ' CG ' ' NH2' ' A' ' 76' ' ' ARG . 27.8 t70 -76.19 155.43 34.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.847 ' HB2' HG13 ' A' ' 75' ' ' VAL . 87.0 m-85 -117.23 -40.02 3.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.067 0.46 . . . . 0.0 110.973 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . 0.542 ' O ' HG12 ' A' ' 75' ' ' VAL . . . 139.78 -172.49 23.33 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.579 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 p -138.03 164.61 28.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.637 0.256 . . . . 0.0 110.851 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -169.77 178.84 3.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.674 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 87.3 mt -120.58 137.52 54.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.049 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.74 HG22 HG21 ' A' ' 7' ' ' ILE . 72.0 t -86.01 91.16 3.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -97.78 -70.71 0.71 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -85.93 143.54 28.14 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 97.3 mt -115.16 150.38 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.938 0.399 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.444 ' CG ' ' HG3' ' A' ' 179' ' ' ARG . 3.2 mt-10 -132.9 138.59 47.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.987 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.5 HD12 ' O ' ' A' ' 4' ' ' PHE . 14.7 tp -119.75 115.15 23.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.022 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -113.71 140.98 47.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.57 ' CE ' HD21 ' A' ' 177' ' ' LEU . 10.1 pttt -113.04 148.94 34.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.015 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 10.4 p -119.47 135.7 54.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.928 0.394 . . . . 0.0 110.946 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 26.2 m -144.43 105.21 4.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.338 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 12.0 mt -73.55 132.53 42.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.937 0.399 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 71.0 p -133.48 155.25 80.85 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.668 0.747 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -47.69 -31.99 15.64 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.788 2.326 . . . . 0.0 112.231 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -80.2 -31.42 38.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.929 0.395 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 155.96 176.12 27.73 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.582 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.88 141.64 45.27 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 34.1 mm -118.49 115.29 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -118.56 102.7 9.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.762 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 176' ' ' THR . 4.1 tp10 -131.49 155.25 47.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.135 0.493 . . . . 0.0 110.723 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.445 ' N ' ' HG3' ' A' ' 175' ' ' GLU . 6.2 m -87.07 140.55 29.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.15 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.57 HD21 ' CE ' ' A' ' 164' ' ' LYS . 78.2 mt -103.23 -43.2 5.52 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.719 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -138.53 142.51 39.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.114 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 179' ' ' ARG . . . . . 0.444 ' HG3' ' CG ' ' A' ' 161' ' ' GLU . 39.8 ttp180 -141.07 107.27 5.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.763 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.421 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 25.8 m-85 -99.82 97.74 8.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.829 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.871 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.722 0.296 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 34.5 ttm-85 -88.96 76.21 7.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.698 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -82.85 151.67 25.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.075 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.506 ' O ' HD12 ' A' ' 162' ' ' LEU . 28.7 p90 -168.81 135.62 1.86 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.791 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.408 ' CG2' HD13 ' A' ' 162' ' ' LEU . 36.1 pt -85.04 147.42 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.504 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -140.1 163.22 33.29 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.148 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.76 HG21 HG22 ' A' ' 157' ' ' VAL . 55.0 mt -105.97 125.16 61.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.186 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.24 137.61 13.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.049 0.452 . . . . 0.0 110.677 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 10' ' ' SER . 2.8 m -117.15 85.87 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 9' ' ' VAL . 3.1 t -36.43 154.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.45 ' OE1' ' C ' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -42.39 -41.35 2.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.5 p -40.48 -41.67 1.47 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.736 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.489 HG21 ' CE1' ' A' ' 155' ' ' PHE . 76.2 t -85.22 -51.0 14.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.16 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.519 ' O ' HG23 ' A' ' 18' ' ' VAL . 98.3 mtt180 -47.91 -66.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.708 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -48.64 -39.58 24.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.74 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.94 -62.16 2.05 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 120.992 0.425 . . . . 0.0 111.194 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.9 mt -51.86 -42.75 62.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.994 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 14' ' ' ARG . 95.2 t -61.6 -40.59 87.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.203 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -52.4 -51.67 57.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.62 -52.01 63.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.117 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.615 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 42.8 mt-30 -45.53 -56.6 4.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -42.18 -43.68 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -72.82 -35.66 67.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.748 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' A' ' 21' ' ' GLN . 85.0 mt -61.57 -48.65 87.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.16 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.54 153.03 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.436 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.2 m -120.31 46.3 2.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.801 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.62 -55.61 3.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.439 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 2.0 pm0 -82.55 -44.09 16.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.018 0.437 . . . . 0.0 111.054 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.439 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -99.97 144.85 28.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.448 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 0.0 OUTLIER -96.56 87.29 4.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.734 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.691 HG12 HG22 ' A' ' 131' ' ' VAL . 45.5 mt -114.52 125.66 71.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -94.99 94.31 7.91 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.981 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.615 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 19.5 m-85 -59.63 176.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.578 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 21.2 t -120.18 149.58 22.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -43.07 160.22 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.444 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 61.8 mtt180 -71.46 -39.53 70.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -84.68 19.52 2.0 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.025 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.452 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 2.5 m-80 -125.19 12.52 8.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 28.2 m-85 -93.72 7.36 45.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.01 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.504 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 2.6 p-80 -56.95 126.53 27.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.933 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 70.1 mt -57.21 120.06 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.293 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.2 m -73.57 90.07 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -47.59 -62.3 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.533 ' HE2' HD12 ' A' ' 111' ' ' LEU . 34.5 tttp -142.93 149.03 37.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.459 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 51.9 t80 -96.2 136.41 36.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.062 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.765 ' HB3' HD11 ' A' ' 49' ' ' ILE . 15.2 mt -107.14 -57.67 2.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.828 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.51 -135.93 12.43 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.652 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -71.02 130.26 41.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.84 0.353 . . . . 0.0 111.082 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.765 HD11 ' HB3' ' A' ' 46' ' ' LEU . 17.9 mt -150.25 147.49 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 74.1 p -99.8 142.67 30.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -50.12 -28.99 8.13 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.744 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -70.31 -36.4 74.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -85.99 -28.84 23.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.15 -57.94 3.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.035 0.445 . . . . 0.0 111.203 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -44.35 -36.43 2.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.81 ' OE2' HD11 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -58.98 -63.19 1.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.878 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.747 ' H ' HD12 ' A' ' 57' ' ' ILE . 3.2 mp -37.32 -60.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.485 ' HE2' ' HB2' ' A' ' 178' ' ' ALA . 87.4 mttt -33.9 -69.67 0.09 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.066 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -42.64 -54.65 3.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.909 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.81 HD11 ' OE2' ' A' ' 56' ' ' GLU . 76.5 mt -43.89 -44.97 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.045 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.2 mt -71.13 -42.88 68.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.986 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -45.89 -57.25 4.5 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.452 ' HB3' ' NZ ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -64.54 -45.88 85.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 66' ' ' LYS . 59.8 mt -58.73 -71.25 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -41.98 -24.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 64' ' ' ILE . 16.6 tppt? -82.04 -52.19 7.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -61.54 -12.32 14.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.007 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.531 ' CG ' HG12 ' A' ' 103' ' ' ILE . 52.2 m-85 -108.11 159.85 16.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.97 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.9 -178.39 3.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.049 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.7 pttm -118.51 112.76 20.33 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.859 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -96.79 174.46 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.981 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -108.22 100.65 9.94 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.8 m -103.32 171.08 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.433 ' HB3' ' CD ' ' A' ' 95' ' ' GLU . 9.3 t-20 -124.48 166.29 16.27 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 75' ' ' VAL . 1.4 p -125.74 92.56 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -139.92 133.65 30.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.48 142.33 9.58 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.447 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.3 mt -136.03 142.01 40.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.851 0.358 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.95 163.88 16.15 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.442 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.532 HG11 HD21 ' A' ' 144' ' ' LEU . 27.4 m -133.63 161.27 41.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.803 0.335 . . . . 0.0 111.23 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.692 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 13.1 m-85 -144.5 147.59 36.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.596 0.713 . . . . 0.0 110.801 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.1 Cg_endo -69.72 -35.28 2.75 Favored 'Cis proline' 0 C--N 1.34 0.101 0 C-N-CA 122.803 -1.749 . . . . 0.0 112.307 0.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -152.5 158.86 33.25 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.718 0.77 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.417 ' HA ' HG21 ' A' ' 80' ' ' VAL . 66.4 Cg_exo -47.92 -52.17 8.66 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.61 2.207 . . . . 0.0 112.306 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -43.12 -40.71 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.818 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -133.4 82.37 1.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.126 0.489 . . . . 0.0 110.931 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 82.9 t -74.88 128.97 37.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -122.28 -37.97 2.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.5 t -132.46 119.42 38.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.983 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 67.9 mt -87.19 129.22 39.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.331 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.692 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 40.4 p-90 -145.57 142.89 29.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.67 165.91 12.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -125.4 149.97 17.24 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.589 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 96.6 t -109.12 145.12 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.026 0.441 . . . . 0.0 110.884 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.521 ' O ' ' C ' ' A' ' 96' ' ' ASN . 3.9 pt-20 -71.93 -175.84 1.55 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.727 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.521 ' C ' ' O ' ' A' ' 95' ' ' GLU . 2.2 t30 -27.58 103.48 0.02 OUTLIER 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.946 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -118.69 43.82 2.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.81 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -45.67 -66.18 0.44 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.778 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.405 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 41.0 mm -43.56 -65.25 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.15 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.6 mt -47.75 -30.37 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.244 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.5 ttpp -74.11 -65.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 99' ' ' ILE . 0.6 OUTLIER -44.42 -41.44 6.22 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.0 179.808 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.531 HG12 ' CG ' ' A' ' 68' ' ' TYR . 72.0 mt -65.28 -46.24 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.029 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.86 -41.75 64.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.989 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -68.79 -38.28 79.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -63.88 -46.72 83.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 41.2 mt -55.26 -38.69 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.428 ' OD2' ' NZ ' ' A' ' 44' ' ' LYS . 10.0 t0 -77.92 -34.73 51.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.935 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -47.46 -45.65 26.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.974 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -75.99 -51.83 11.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.049 0.452 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.732 HD23 HD12 ' A' ' 114' ' ' LEU . 25.0 mt -47.39 -41.49 20.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.04 -36.07 0.44 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.014 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -71.09 -37.95 72.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.732 HD12 HD23 ' A' ' 111' ' ' LEU . 39.4 mt -70.09 -28.12 65.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 119.27 56.64 0.26 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.428 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.441 ' CZ ' HD22 ' A' ' 111' ' ' LEU . 8.6 m-85 -122.93 168.09 12.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.974 0.416 . . . . 0.0 110.842 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -93.24 142.61 27.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -108.81 131.35 55.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.968 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -99.82 127.32 45.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -54.63 -69.02 1.38 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.533 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.14 139.54 33.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.794 0.33 . . . . 0.0 110.95 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.566 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 1.0 OUTLIER -98.98 138.49 36.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.003 179.777 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 18.2 t -132.26 122.01 47.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.218 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.25 99.91 11.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.094 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -135.2 164.9 26.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.98 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.603 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.5 mp -134.6 109.66 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.388 . . . . 0.0 111.122 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 88.0 m -66.95 113.88 5.32 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.018 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' ' 34' ' ' VAL . 65.4 mt -79.6 -36.82 37.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 174.08 169.03 35.79 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.466 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -108.05 152.71 24.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.795 0.331 . . . . 0.0 110.775 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.691 HG22 HG12 ' A' ' 31' ' ' ILE . 60.9 t -101.92 114.21 40.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.936 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -80.85 -54.56 5.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.803 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.448 ' CE2' ' HG3' ' A' ' 30' ' ' LYS . 7.0 p90 -161.31 138.9 9.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.501 HG22 ' N ' ' A' ' 135' ' ' LYS . 2.7 p -136.73 158.12 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.19 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.501 ' N ' HG22 ' A' ' 134' ' ' VAL . 31.9 mmtt -112.05 -45.44 3.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.822 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -71.46 112.33 7.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.044 0.45 . . . . 0.0 110.811 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -75.52 -58.67 3.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.077 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.437 ' C ' ' HG3' ' A' ' 142' ' ' MET . 25.0 mt -48.68 -54.54 14.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.704 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 138' ' ' LEU . . . -37.79 -39.36 0.6 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.627 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.416 HD21 HG11 ' A' ' 134' ' ' VAL . 58.7 mt -53.68 -50.83 64.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.485 ' HA ' HD12 ' A' ' 144' ' ' LEU . . . -81.06 -56.0 4.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.96 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.437 ' HG3' ' C ' ' A' ' 138' ' ' LEU . 2.1 mtt -39.99 -28.64 0.06 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.061 0.458 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 141' ' ' ALA . 6.8 ttmt -83.82 -53.78 5.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.993 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.532 HD21 HG11 ' A' ' 80' ' ' VAL . 46.6 mt -40.82 -47.59 2.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.987 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -41.17 69.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.671 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.448 ' C ' HD12 ' A' ' 147' ' ' LEU . 18.3 mm-40 -75.44 -31.71 60.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.448 HD12 ' C ' ' A' ' 146' ' ' GLU . 7.2 mp -112.56 32.72 5.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 144' ' ' LEU . . . -86.92 -46.27 10.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.31 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -134.03 27.98 3.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.763 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.597 ' OE2' ' CE2' ' A' ' 152' ' ' PHE . 0.0 OUTLIER -61.26 142.86 56.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -85.26 144.88 27.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.597 ' CE2' ' OE2' ' A' ' 150' ' ' GLU . 42.8 m-85 -125.89 -32.83 2.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . 0.411 ' O ' ' ND2' ' A' ' 74' ' ' ASN . . . 137.08 -173.55 22.13 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.548 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 32.1 p -138.44 166.16 24.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.789 0.328 . . . . 0.0 111.035 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . 0.489 ' CE1' HG21 ' A' ' 13' ' ' VAL . 53.8 p90 -166.25 166.29 16.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.767 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 92.3 mt -113.36 120.96 64.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.76 HG22 HG21 ' A' ' 7' ' ' ILE . 96.1 t -68.11 94.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -90.85 -72.67 0.56 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.108 0.48 . . . . 0.0 110.8 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.819 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -97.31 166.81 11.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 161' ' ' GLU . 97.1 mt -116.43 158.84 16.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.528 ' N ' HG22 ' A' ' 160' ' ' ILE . 0.7 OUTLIER -141.79 125.39 16.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.927 179.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.506 HD12 ' O ' ' A' ' 4' ' ' PHE . 17.8 tp -108.0 131.27 54.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.037 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -122.38 154.85 37.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.843 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -117.84 129.57 55.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.904 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 28.7 t -113.61 126.72 55.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.105 0.478 . . . . 0.0 110.772 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 79.8 m -134.23 105.29 6.56 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.179 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 10.1 mt -70.34 134.46 47.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 68.4 p -139.76 155.41 71.33 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.697 0.761 . . . . 0.0 111.089 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -48.24 -31.75 17.77 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.613 2.208 . . . . 0.0 112.447 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -27.75 38.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.977 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 152.95 174.07 22.96 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.554 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.9 127.78 14.97 Favored 'Trans proline' 0 C--N 1.34 0.118 0 C-N-CA 122.532 2.154 . . . . 0.0 112.496 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 28.4 mm -99.08 143.05 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.986 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -140.89 130.2 23.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.805 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -157.37 139.29 14.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.784 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.429 HG21 ' HG3' ' A' ' 179' ' ' ARG . 96.5 m -70.69 147.25 49.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.01 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 20.9 mt -114.68 -40.31 3.59 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.485 ' HB2' ' HE2' ' A' ' 58' ' ' LYS . . . -142.97 145.43 32.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.121 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 179' ' ' ARG . . . . . 0.429 ' HG3' HG21 ' A' ' 176' ' ' THR . 18.7 mtt-85 -137.68 105.84 5.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.001 0.429 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.819 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 15.7 m-85 -103.47 97.83 7.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 . . . . . 0 C--O 1.233 0.235 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.023 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ptt? . . . . . 0 C--O 1.234 0.251 0 CA-C-O 120.764 0.316 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 2' ' ' ARG . 3.6 ptm180 -97.33 83.78 3.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.805 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.562 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -72.41 151.64 42.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.197 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -162.16 143.16 10.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.937 HG22 HD13 ' A' ' 162' ' ' LEU . 12.1 pt -104.0 140.15 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.999 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -136.38 171.23 14.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.978 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.1 mt -107.08 116.61 51.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.045 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.01 129.88 4.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.823 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 9' ' ' VAL . 5.7 m -108.4 91.0 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.059 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.8 t -43.98 167.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.815 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -51.36 -42.93 61.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.2 p -43.55 -30.17 0.56 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.1 t -97.75 -50.57 11.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.73 ' O ' HG23 ' A' ' 18' ' ' VAL . 60.9 mtt180 -48.6 -54.44 14.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.784 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -65.11 -34.88 79.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.968 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.8 -65.99 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 69.5 mt -53.97 -50.31 66.82 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.96 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 14' ' ' ARG . 94.3 t -51.31 -43.07 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.151 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -49.19 -45.37 44.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.03 -48.99 77.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.21 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.637 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 59.6 mt-30 -45.38 -58.68 3.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.031 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -40.69 -35.5 0.49 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.038 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -80.32 -44.44 19.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.059 0.457 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.0 mt -51.69 -67.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.281 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.87 168.92 6.92 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.5 t -130.16 47.17 2.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -75.12 -62.69 1.47 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.456 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 2.9 pm0 -87.13 -39.43 15.55 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.456 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -100.95 152.14 20.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.437 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 24.8 mmmt -108.63 109.65 20.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.847 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.748 HG12 HG22 ' A' ' 131' ' ' VAL . 37.1 mt -134.12 126.46 49.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -90.29 98.66 11.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.925 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.637 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 18.4 m-85 -60.56 -179.07 0.11 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.995 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.537 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 49.2 t -129.66 140.15 49.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 34' ' ' VAL . 50.1 mm-40 -36.35 154.22 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.474 ' HA ' ' CD2' ' A' ' 39' ' ' PHE . 79.1 mtt180 -66.56 -46.24 76.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -76.13 7.79 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.015 0.436 . . . . 0.0 110.994 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.536 ' HB2' HG12 ' A' ' 34' ' ' VAL . 1.4 m-80 -111.73 6.51 19.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.823 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.537 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 20.4 m-85 -86.62 7.37 26.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.994 0.426 . . . . 0.0 110.996 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.494 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 2.5 p-80 -51.9 132.3 31.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.734 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.7 mt -70.24 113.84 6.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.215 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.1 m -64.92 101.73 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.285 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 43' ' ' LEU . 5.0 tt -76.54 -48.52 19.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.613 ' NZ ' HD11 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -150.91 134.77 16.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.797 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -99.22 150.87 21.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.877 ' HB3' HD11 ' A' ' 49' ' ' ILE . 14.2 mt -117.08 -63.37 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.002 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.85 -138.99 14.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.505 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' C ' HG13 ' A' ' 49' ' ' ILE . 29.7 tt0 -66.63 127.23 31.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.965 0.412 . . . . 0.0 110.848 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.877 HD11 ' HB3' ' A' ' 46' ' ' LEU . 10.0 mt -152.49 147.8 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.4 p -94.73 143.49 26.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -42.83 -27.04 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -82.26 -50.73 8.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.705 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.591 ' O ' HD12 ' A' ' 57' ' ' ILE . 15.1 mm100 -62.79 -29.04 70.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.01 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.55 -61.03 1.7 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.975 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -52.07 -35.81 48.65 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -51.54 -35.06 39.24 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.791 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.3 mp -80.18 -56.94 5.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.186 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' ILE . 81.5 mttt -36.27 -60.2 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -45.33 -43.42 10.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 57' ' ' ILE . 56.9 mt -58.08 -38.73 69.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.07 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 27.4 mt -70.3 -33.58 71.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -55.87 -54.34 45.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -61.02 -50.7 72.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.981 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.48 ' CD1' ' HA ' ' A' ' 107' ' ' ILE . 19.5 mt -57.57 -66.66 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.146 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -44.74 -20.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 64' ' ' ILE . 6.5 ttmt -88.58 -46.56 8.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -65.55 -11.85 47.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.972 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.549 ' CD2' HG12 ' A' ' 103' ' ' ILE . 43.5 m-85 -106.61 162.99 13.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.99 173.79 6.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.987 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -85.32 110.34 19.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.458 ' CD2' ' H ' ' A' ' 72' ' ' GLU . 10.9 t-160 -98.78 163.47 12.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.838 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.458 ' H ' ' CD2' ' A' ' 71' ' ' HIS . 24.5 tt0 -114.21 110.05 19.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.018 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.4 m -115.82 169.26 6.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.056 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -121.33 161.79 21.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.536 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.9 p -123.8 106.96 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 25.5 ttm180 -156.7 147.76 22.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.907 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.404 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 98.84 145.67 19.05 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.47 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.446 HG23 ' O ' ' A' ' 91' ' ' TRP . 50.3 mt -142.63 137.29 28.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 111.209 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -118.57 168.35 13.2 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.9 m -136.0 164.85 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.018 0.437 . . . . 0.0 111.08 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.568 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 11.8 m-85 -149.22 153.27 37.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.722 0.773 . . . . 0.0 110.888 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.9 Cg_endo -69.86 -21.61 10.22 Favored 'Cis proline' 0 C--N 1.344 0.324 0 C-N-CA 122.598 -1.834 . . . . 0.0 112.435 0.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.447 ' CG ' ' C ' ' A' ' 82' ' ' PRO . 0.3 OUTLIER -163.36 159.37 18.04 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.701 0.762 . . . . 0.0 110.901 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.73 -64.33 0.25 Allowed 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.702 2.268 . . . . 0.0 112.409 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -39.33 -36.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.041 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -131.5 91.38 3.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 71.7 t -82.55 134.53 26.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.217 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -128.68 -38.29 1.71 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.762 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.689 HG22 ' HG2' ' A' ' 130' ' ' ARG . 89.3 t -135.97 119.27 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.421 ' CD1' HD13 ' A' ' 31' ' ' ILE . 64.8 mt -88.09 128.07 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.974 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.568 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 49.2 p-90 -144.89 143.62 30.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.959 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.53 166.32 12.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.076 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.2 147.93 16.66 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.519 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.8 t -99.55 142.79 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.937 0.398 . . . . 0.0 111.092 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.504 ' O ' ' C ' ' A' ' 96' ' ' ASN . 15.2 mt-10 -70.87 -176.35 1.32 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.504 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.3 p-10 -30.0 100.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.522 ' HB2' HD12 ' A' ' 100' ' ' ILE . 3.4 p30 -124.87 50.4 1.75 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.937 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -54.34 -62.99 1.3 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.558 HD13 ' HE3' ' A' ' 102' ' ' LYS . 29.1 mm -42.48 -56.46 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.991 0.424 . . . . 0.0 111.249 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.522 HD12 ' HB2' ' A' ' 97' ' ' ASP . 82.0 mt -50.74 -35.39 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.018 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -68.93 -60.45 2.36 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.984 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.558 ' HE3' HD13 ' A' ' 99' ' ' ILE . 12.2 ptpt -51.61 -39.9 58.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.068 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.568 HG22 ' CD1' ' A' ' 107' ' ' ILE . 60.1 mt -66.36 -50.3 68.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.019 0.437 . . . . 0.0 111.144 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.25 -45.94 72.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.122 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -61.98 -47.97 82.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -65.04 -25.33 67.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.005 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.568 ' CD1' HG22 ' A' ' 103' ' ' ILE . 62.1 mt -75.57 -44.48 40.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.239 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -76.7 -32.64 58.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.825 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -53.75 -43.94 69.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.027 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -67.91 -47.87 67.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.724 HD23 HD12 ' A' ' 114' ' ' LEU . 33.7 mt -56.33 -40.33 74.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -38.52 -35.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.961 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -70.89 -42.8 69.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.737 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.724 HD12 HD23 ' A' ' 111' ' ' LEU . 28.7 mt -64.95 -19.07 65.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.97 0.414 . . . . 0.0 111.064 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 108.3 55.75 0.59 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.58 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -124.53 170.96 10.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.002 0.429 . . . . 0.0 110.784 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -85.71 147.8 26.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.051 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -119.16 127.22 53.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -97.89 107.14 19.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -46.33 -76.72 0.12 Allowed Glycine 0 C--O 1.228 -0.252 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.459 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.71 113.38 24.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.669 0.271 . . . . 0.0 111.057 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -89.29 145.44 25.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.022 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 62.3 t -142.35 115.87 4.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.266 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.84 107.41 9.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.157 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -141.4 166.84 23.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.56 ' N ' HD12 ' A' ' 126' ' ' ILE . 1.7 mp -138.49 107.92 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.011 0.434 . . . . 0.0 111.164 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 84.3 m -66.57 118.89 10.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.048 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 74.1 mt -83.32 -30.71 27.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.083 0.468 . . . . 0.0 111.055 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 165.52 161.27 14.15 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.689 ' HG2' HG22 ' A' ' 89' ' ' VAL . 31.8 mtp180 -97.74 155.41 17.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.076 0.465 . . . . 0.0 110.746 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.748 HG22 HG12 ' A' ' 31' ' ' ILE . 94.7 t -101.52 124.26 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -84.27 -60.18 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.771 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.494 ' O ' ' CD1' ' A' ' 133' ' ' PHE . 4.7 p90 -164.01 132.01 3.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.038 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.417 HG11 HD11 ' A' ' 140' ' ' LEU . 1.8 p -127.18 153.13 36.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.092 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.401 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 54.2 tttm -107.51 -42.0 4.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -85.31 96.33 9.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 138' ' ' LEU . 35.7 mttp -64.62 -67.37 0.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 137' ' ' LYS . 48.6 mt -34.91 -45.07 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.815 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -48.63 -47.08 30.29 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.495 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.417 HD11 HG11 ' A' ' 134' ' ' VAL . 48.9 mt -49.43 -60.34 2.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.765 0.317 . . . . 0.0 110.821 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.84 -60.98 2.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.109 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 7.6 mmt -40.38 -32.31 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -81.55 -52.02 7.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.974 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 58.6 mt -40.78 -48.72 3.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.187 0.517 . . . . 0.0 110.921 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -49.47 -43.77 45.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.85 -38.68 91.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.755 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.5 mp -100.31 33.84 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.009 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -96.64 -39.83 9.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.186 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 150' ' ' GLU . 70.9 m-20 -110.01 -26.71 9.58 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 149' ' ' ASN . 3.5 tp10 -34.67 110.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.102 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 153' ' ' GLY . 7.8 t70 -73.3 152.47 40.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.536 ' HB2' HG13 ' A' ' 75' ' ' VAL . 48.8 m-85 -115.6 -29.94 6.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.799 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' A' ' 151' ' ' ASP . . . 132.99 -165.54 23.93 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.421 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 14.9 p -146.86 167.02 24.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 0.0 110.945 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -164.67 165.52 20.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.711 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 71' ' ' HIS . 49.0 mt -111.66 127.83 68.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.073 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 47.5 t -71.21 104.2 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -100.21 -72.17 0.68 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.991 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.803 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -101.46 171.47 7.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.072 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 95.8 mt -121.31 145.37 27.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.078 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -120.06 127.02 52.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.937 HD13 HG22 ' A' ' 5' ' ' ILE . 33.0 tp -114.13 105.53 13.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -111.59 161.29 16.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.125 0.488 . . . . 0.0 110.86 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.44 ' HZ3' HD11 ' A' ' 177' ' ' LEU . 2.2 tmmm? -133.13 152.44 51.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.737 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.536 ' OG ' ' CE1' ' A' ' 174' ' ' TYR . 1.4 m -116.7 142.55 46.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.794 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 65.8 m -134.88 98.81 4.12 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.29 131.04 45.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 30.5 p -138.37 155.6 73.88 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.244 0.545 . . . . 0.0 111.339 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -48.09 -33.75 21.78 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.85 2.367 . . . . 0.0 112.206 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -22.99 42.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.012 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 146.79 172.02 16.65 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.286 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.78 130.48 19.39 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.586 2.191 . . . . 0.0 112.398 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 32.6 mm -105.04 142.39 18.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.025 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . 0.536 ' CE1' ' OG ' ' A' ' 165' ' ' SER . 4.6 m-85 -127.54 120.98 29.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.107 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -143.45 151.7 40.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.834 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.412 HG21 ' CG ' ' A' ' 179' ' ' ARG . 21.2 m -86.18 148.25 25.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.44 HD11 ' HZ3' ' A' ' 164' ' ' LYS . 19.9 mt -116.06 -45.96 2.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.848 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.624 ' HB3' HD23 ' A' ' 162' ' ' LEU . . . -141.45 137.96 32.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.015 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 179' ' ' ARG . . . . . 0.412 ' CG ' HG21 ' A' ' 176' ' ' THR . 0.0 OUTLIER -129.54 109.76 11.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.843 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.803 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 2.2 m-85 -93.27 97.57 10.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.772 -179.853 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ptt? . . . . . 0 C--O 1.234 0.272 0 CA-C-O 120.516 0.198 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.457 ' CG ' ' HB3' ' A' ' 165' ' ' SER . 10.1 ptp180 -98.26 86.59 3.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.744 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.811 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -78.89 160.65 27.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.958 0.409 . . . . 0.0 111.043 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.518 ' O ' HD12 ' A' ' 162' ' ' LEU . 39.7 p90 -170.65 143.61 2.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.679 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.2 pt -95.95 138.23 21.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.328 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -137.45 163.28 31.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.276 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.1 HG21 HG22 ' A' ' 157' ' ' VAL . 65.5 mt -104.16 125.24 58.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -49.33 144.48 5.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.955 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.446 HG23 ' HG3' ' A' ' 14' ' ' ARG . 4.8 m -118.5 90.18 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.23 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 m -38.34 154.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 12' ' ' SER . 6.5 mm-40 -42.86 -52.25 5.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.718 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 11' ' ' GLU . 13.9 t -34.52 -49.5 0.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.037 0.446 . . . . 0.0 110.693 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.598 HG21 ' CE2' ' A' ' 155' ' ' PHE . 87.2 t -75.62 -53.78 15.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.028 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.612 ' O ' HG23 ' A' ' 18' ' ' VAL . 57.7 mtt180 -43.11 -54.33 4.45 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -68.83 -31.98 71.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.3 -55.24 36.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.052 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.72 HD23 ' CE1' ' A' ' 152' ' ' PHE . 84.7 mt -63.49 -49.55 73.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.75 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 14' ' ' ARG . 93.6 t -55.13 -40.74 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.262 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -49.68 -46.03 49.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.439 ' HB1' ' CD2' ' A' ' 147' ' ' LEU . . . -62.17 -50.51 71.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.687 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 50.8 mt-30 -46.29 -55.51 7.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.999 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.71 -47.28 10.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.725 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -66.13 -37.56 85.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.948 0.404 . . . . 0.0 110.974 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.767 HG23 ' HD3' ' A' ' 143' ' ' LYS . 86.1 mt -63.17 -60.7 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.091 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.34 173.76 8.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.382 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.7 p -134.46 48.28 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.357 . . . . 0.0 110.915 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -74.23 -57.45 3.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.0 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.04 -42.22 10.64 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.753 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.29 147.57 25.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 6.0 tmtm? -103.09 103.2 13.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.986 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.552 HG12 HG22 ' A' ' 131' ' ' VAL . 34.1 mt -123.5 119.4 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.081 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -87.57 81.78 7.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.737 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.687 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 16.6 m-85 -56.26 173.31 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.601 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 85.0 t -105.05 145.73 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.403 ' HB2' ' OD1' ' A' ' 38' ' ' ASN . 5.7 mm-40 -49.13 176.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.521 ' HA ' ' CD2' ' A' ' 39' ' ' PHE . 46.1 mtt180 -82.2 -41.13 20.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -81.93 18.49 1.3 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.815 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.484 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -135.05 22.81 3.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.869 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.601 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 11.3 m-85 -96.24 10.69 37.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -56.26 149.91 15.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.713 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.1 mt -86.84 112.43 23.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.204 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.0 m -64.79 97.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.056 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.408 HD12 HD11 ' A' ' 7' ' ' ILE . 5.4 tt -68.44 -46.64 69.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.462 ' NZ ' HD21 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -157.17 129.91 7.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.879 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -93.2 139.72 30.3 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.787 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.56 ' CB ' HD11 ' A' ' 49' ' ' ILE . 81.4 mt -103.63 -63.08 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.957 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.37 -132.39 11.01 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.503 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.33 120.17 12.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.94 0.4 . . . . 0.0 110.949 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.811 HD12 ' HB3' ' A' ' 3' ' ' ALA . 26.1 mt -137.78 152.6 26.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.142 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 51' ' ' GLU . 21.3 p -105.18 138.85 40.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 50' ' ' THR . 5.2 mp0 -34.08 -37.96 0.05 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.988 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' THR . 21.3 mt-10 -69.81 -66.32 0.61 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 56' ' ' GLU . 79.6 mm-40 -43.19 -39.51 2.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.07 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -39.22 -61.93 0.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.02 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 56' ' ' GLU . 2.8 pt-20 -56.62 -26.83 56.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.762 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 53' ' ' GLN . 6.5 tp10 -61.39 -55.95 25.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.735 ' H ' HD12 ' A' ' 57' ' ' ILE . 4.1 mp -54.92 -59.79 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.1 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.723 ' HE2' ' HB2' ' A' ' 178' ' ' ALA . 8.3 mtpm? -35.97 -56.84 0.71 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.204 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -45.43 -50.11 12.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 57.7 mt -59.08 -51.53 71.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.169 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 58' ' ' LYS . 42.0 mt -51.11 -30.77 17.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.892 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -74.73 -32.2 62.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.788 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 45.7 mttt -78.3 -28.84 47.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.77 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.478 ' HA ' ' CD ' ' A' ' 67' ' ' LYS . 90.2 mt -87.67 -54.95 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.497 ' HB2' HD12 ' A' ' 160' ' ' ILE . . . -48.31 -20.25 0.37 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.005 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.48 -25.96 14.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.816 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.478 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 1.5 ptmt -78.77 -18.67 53.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.454 ' CD2' HG12 ' A' ' 103' ' ' ILE . 39.7 m-85 -106.99 157.5 17.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.76 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -99.46 175.05 5.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.012 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.48 ' HB3' ' CG2' ' A' ' 156' ' ' ILE . 7.5 mptt -97.71 108.75 21.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.862 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.668 ' O ' HG23 ' A' ' 156' ' ' ILE . 5.5 t60 -98.6 164.4 12.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -107.35 123.13 47.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.2 m -128.28 165.51 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 153' ' ' GLY . 9.2 t-20 -118.64 162.79 17.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.911 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.802 HG13 ' HB2' ' A' ' 152' ' ' PHE . 1.5 p -124.03 112.05 31.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.472 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 17.9 ttp180 -157.19 150.82 24.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.725 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.472 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 94.28 151.04 27.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.648 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.8 mt -142.58 129.41 18.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.695 0.283 . . . . 0.0 111.272 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.54 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -107.32 156.19 16.03 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.591 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.9 m -126.26 163.0 29.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.819 0.342 . . . . 0.0 111.265 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.565 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 10.2 m-85 -149.52 152.0 34.41 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.674 0.749 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 53.1 Cg_endo -69.92 -20.07 11.11 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.28 0.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -168.4 162.94 8.66 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.602 0.715 . . . . 0.0 110.957 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -47.83 -62.04 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.749 2.299 . . . . 0.0 112.248 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.44 ' ND2' ' HB2' ' A' ' 86' ' ' TYR . 1.6 p-10 -38.86 -37.43 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.815 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.44 ' HB2' ' ND2' ' A' ' 85' ' ' ASN . 5.4 t80 -133.8 95.84 3.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.086 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 63.9 t -89.71 128.7 41.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -125.55 -42.3 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.013 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 58.3 t -125.96 120.41 57.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.092 0.472 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 70.3 mt -91.81 121.61 42.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.027 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.565 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 39.1 p-90 -135.17 141.73 45.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.926 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.23 162.34 15.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.869 0.366 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.98 138.25 11.26 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.508 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 97.0 t -93.82 149.94 4.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.743 0.306 . . . . 0.0 111.214 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.523 ' O ' ' C ' ' A' ' 96' ' ' ASN . 23.0 mt-10 -71.81 -176.05 1.56 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.097 0.475 . . . . 0.0 110.668 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.523 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.1 p30 -27.07 114.81 0.07 Allowed 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.834 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.505 ' HB2' HD12 ' A' ' 100' ' ' ILE . 3.6 p-10 -131.17 37.14 3.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -47.5 -63.22 1.11 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.783 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 47.9 mm -45.87 -45.28 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.505 HD12 ' HB2' ' A' ' 97' ' ' ASP . 54.4 mt -59.64 -42.6 88.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.923 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.564 ' HG2' ' CD1' ' A' ' 122' ' ' PHE . 5.9 mtmp? -56.27 -56.76 17.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -45.74 -55.94 5.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.949 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.821 HG22 ' CD1' ' A' ' 107' ' ' ILE . 63.6 mt -54.17 -50.65 53.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.368 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.57 -32.72 59.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.996 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -78.07 -47.52 18.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.909 0.385 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -60.94 -50.98 71.21 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.004 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.821 ' CD1' HG22 ' A' ' 103' ' ' ILE . 60.6 mt -50.87 -47.74 29.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.218 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 111' ' ' LEU . 8.0 t0 -68.32 -53.01 27.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.696 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 108' ' ' ASP . 10.2 t0 -34.77 -47.53 0.34 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.919 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -68.88 -41.49 78.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.68 HD23 HD12 ' A' ' 114' ' ' LEU . 71.5 mt -61.56 -41.12 96.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 111' ' ' LEU . . . -36.72 -39.87 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.961 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -67.72 -42.48 81.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.773 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.68 HD12 HD23 ' A' ' 111' ' ' LEU . 26.6 mt -64.86 -29.27 70.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.151 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 122.43 55.11 0.21 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.46 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.491 ' CD1' ' HB3' ' A' ' 111' ' ' LEU . 89.5 m-85 -131.32 151.38 51.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.115 0.483 . . . . 0.0 110.936 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.59 135.87 34.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.041 0.448 . . . . 0.0 110.728 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -110.4 142.09 42.57 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -98.27 124.48 42.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.44 -62.03 6.42 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.283 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -92.99 111.55 23.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.895 0.379 . . . . 0.0 110.983 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.564 ' CD1' ' HG2' ' A' ' 101' ' ' LYS . 1.1 t80 -88.84 139.25 30.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.037 0.446 . . . . 0.0 110.88 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 34.7 t -136.21 115.35 16.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.067 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.23 106.49 11.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.975 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.44 ' C ' HD12 ' A' ' 126' ' ' ILE . 25.3 p-80 -140.96 161.55 37.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.521 ' N ' HD12 ' A' ' 126' ' ' ILE . 4.4 mp -131.93 103.63 7.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.174 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 91.0 m -55.29 109.42 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.13 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 51.2 mt -73.56 -39.8 64.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 176.72 -176.81 48.07 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.566 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 -125.92 146.29 49.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.552 HG22 HG12 ' A' ' 31' ' ' ILE . 87.0 t -91.79 127.19 44.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -95.02 -62.15 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.032 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.483 ' O ' ' CD1' ' A' ' 133' ' ' PHE . 7.5 p90 -149.81 132.31 15.73 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.845 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.607 HG21 HD21 ' A' ' 140' ' ' LEU . 3.0 p -133.34 150.78 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.411 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -110.95 -50.7 2.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -76.91 108.98 10.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 138' ' ' LEU . 3.2 mppt? -71.53 -63.94 1.02 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 137' ' ' LYS . 31.4 mt -37.41 -52.92 1.14 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -43.31 -42.39 5.52 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.512 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.607 HD21 HG21 ' A' ' 134' ' ' VAL . 69.5 mt -52.58 -63.67 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.769 0.318 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.577 ' HA ' HD12 ' A' ' 144' ' ' LEU . . . -61.44 -60.0 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.4 mmt -38.26 -38.25 0.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.767 ' HD3' HG23 ' A' ' 24' ' ' ILE . 3.5 ttmt -70.73 -59.04 3.04 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.823 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 141' ' ' ALA . 29.8 mt -38.9 -54.14 1.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.885 0.374 . . . . 0.0 110.746 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -50.66 -42.95 57.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.731 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.9 -37.41 87.56 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.04 0.448 . . . . 0.0 111.015 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.599 ' CD2' HD11 ' A' ' 24' ' ' ILE . 8.2 mp -107.43 39.47 1.89 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.986 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -99.01 -37.71 9.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.981 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 150' ' ' GLU . 33.7 m120 -108.1 -24.66 11.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.855 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 149' ' ' ASN . 8.0 tm-20 -34.97 121.8 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.06 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -87.66 153.46 21.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.802 ' HB2' HG13 ' A' ' 75' ' ' VAL . 81.8 m-85 -112.59 -33.57 6.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.816 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . 0.427 ' O ' ' ND2' ' A' ' 74' ' ' ASN . . . 136.9 -163.45 25.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.425 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.8 m -146.61 159.63 43.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . 0.598 ' CE2' HG21 ' A' ' 13' ' ' VAL . 34.1 p90 -165.49 169.78 15.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.668 HG23 ' O ' ' A' ' 71' ' ' HIS . 77.1 mt -112.6 130.02 67.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.056 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 1.1 HG22 HG21 ' A' ' 7' ' ' ILE . 55.4 t -84.13 99.9 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.108 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.457 ' HA ' ' CG ' ' A' ' 70' ' ' LYS . 16.3 mp0 -98.79 -69.89 0.75 Allowed 'General case' 0 C--O 1.224 -0.255 0 CA-C-O 121.077 0.465 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.98 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -86.0 176.17 8.18 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.058 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . 0.497 HD12 ' HB2' ' A' ' 65' ' ' ALA . 66.9 mt -131.08 153.01 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.283 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.423 ' N ' HG22 ' A' ' 160' ' ' ILE . 1.2 tm-20 -129.43 127.72 41.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.815 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' ' 4' ' ' PHE . 35.5 tp -115.97 120.93 40.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.792 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -126.79 155.48 42.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.991 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.574 ' HD3' HD21 ' A' ' 177' ' ' LEU . 10.3 pttm -127.56 151.65 48.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.027 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.457 ' HB3' ' CG ' ' A' ' 2' ' ' ARG . 6.7 t -118.21 139.4 51.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.001 0.429 . . . . 0.0 110.64 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 88.1 m -135.14 100.95 4.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.237 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 18.4 mt -67.44 128.06 35.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 18.1 p -130.7 158.05 75.94 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.671 0.748 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -48.13 -31.47 16.59 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.782 2.321 . . . . 0.0 112.235 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.42 -33.65 36.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.962 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 159.35 176.67 31.67 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.673 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.53 121.91 8.65 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.716 2.277 . . . . 0.0 112.387 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 20.0 mm -97.39 137.8 24.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -128.54 114.97 17.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.048 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 176' ' ' THR . 9.7 tp10 -133.37 158.42 43.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.992 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.455 ' N ' ' HG3' ' A' ' 175' ' ' GLU . 18.8 m -91.71 146.49 23.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.026 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.574 HD21 ' HD3' ' A' ' 164' ' ' LYS . 34.4 mt -112.4 -42.82 3.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.087 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.723 ' HB2' ' HE2' ' A' ' 58' ' ' LYS . . . -140.75 141.36 34.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.203 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -136.3 105.11 5.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.984 0.421 . . . . 0.0 110.81 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.98 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 18.3 m-85 -110.18 99.14 8.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.854 -179.751 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.505 ' O ' ' CG ' ' A' ' 1' ' ' MET . 9.9 ttt . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.981 0.42 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.5 ttt85 -74.35 72.73 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.042 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.657 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -63.77 154.82 32.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.447 ' O ' HD12 ' A' ' 162' ' ' LEU . 27.7 p90 -167.16 134.25 2.37 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.735 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.748 HD11 ' HB3' ' A' ' 44' ' ' LYS . 26.1 pt -91.36 137.99 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -133.7 162.88 30.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.903 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.704 HG21 HG22 ' A' ' 157' ' ' VAL . 37.1 mt -106.74 134.33 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.91 130.84 47.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 10' ' ' SER . 3.2 m -111.27 89.31 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.953 0.406 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 9' ' ' VAL . 3.8 t -35.15 152.42 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -42.83 -37.88 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.807 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.2 t -41.67 -42.55 2.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.3 t -86.25 -54.91 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.21 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.688 ' O ' HG23 ' A' ' 18' ' ' VAL . 27.8 mtt180 -42.83 -53.22 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.836 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.7 -35.81 79.09 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.02 -68.82 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.957 0.408 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.0 mt -41.05 -45.46 2.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.956 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 14' ' ' ARG . 99.7 t -56.91 -36.94 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -54.78 -45.26 74.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.55 -48.01 81.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.158 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.53 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 46.7 mt-30 -51.29 -60.47 3.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -41.42 -39.17 1.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.459 ' CE2' ' HG2' ' A' ' 143' ' ' LYS . 47.9 t80 -71.27 -36.44 71.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' GLN . 39.0 mt -68.94 -58.81 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.17 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.75 162.88 0.23 Allowed Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.611 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.2 m -118.03 38.65 3.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.893 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.6 mttm -70.64 -53.23 16.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -98.46 -39.76 8.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.901 179.789 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.434 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -99.96 149.33 23.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -105.77 100.7 10.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.507 HG12 HG22 ' A' ' 131' ' ' VAL . 53.3 mt -123.59 117.63 51.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -80.43 79.25 7.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.841 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.53 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 12.1 m-85 -56.02 163.77 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.969 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 128' ' ' LEU . 50.9 t -105.15 148.78 9.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.237 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -41.1 163.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.795 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -76.28 -45.49 32.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 10.3 tt0 -73.77 3.99 5.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.786 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -111.57 20.5 17.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.093 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -93.31 7.86 42.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.704 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -55.21 143.31 28.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.9 mt -79.53 119.26 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.068 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.2 m -69.97 92.59 0.73 Allowed 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.039 0.447 . . . . 0.0 111.171 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.475 ' O ' ' CE1' ' A' ' 122' ' ' PHE . 5.4 tt -51.28 -53.73 32.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.748 ' HB3' HD11 ' A' ' 5' ' ' ILE . 30.7 tttm -153.46 147.33 25.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.128 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.425 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 46.3 t80 -99.85 140.05 34.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.987 0.423 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.8 mt -111.82 -64.52 1.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.49 -130.85 10.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.353 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.444 ' C ' HG13 ' A' ' 49' ' ' ILE . 16.2 mt-10 -74.05 136.87 43.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.709 0.29 . . . . 0.0 110.838 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.657 HD12 ' HB3' ' A' ' 3' ' ' ALA . 27.0 mt -149.2 155.55 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.428 ' N ' HG22 ' A' ' 49' ' ' ILE . 34.7 p -97.38 135.94 38.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.089 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -41.01 -26.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.963 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 50' ' ' THR . 21.5 mt-10 -79.15 -49.2 12.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.733 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.472 ' OE1' ' N ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -68.48 -24.9 64.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.87 0.367 . . . . 0.0 110.747 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.69 -55.82 8.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.337 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -58.97 -20.7 55.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.415 ' HG2' HD21 ' A' ' 114' ' ' LEU . 4.7 tp10 -71.07 -45.14 64.33 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.728 HG13 HD21 ' A' ' 111' ' ' LEU . 1.9 mp -56.42 -42.48 75.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.155 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -62.54 -71.68 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -35.53 -38.31 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.022 179.671 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.592 HG23 ' OE2' ' A' ' 110' ' ' GLU . 91.4 mt -66.22 -50.03 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 58' ' ' LYS . 25.3 mt -60.92 -32.43 71.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.951 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -54.33 -47.64 72.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -52.43 17.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.887 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.467 ' CD1' ' HA ' ' A' ' 107' ' ' ILE . 40.1 mt -51.18 -61.37 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.29 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.468 ' HB2' HD12 ' A' ' 160' ' ' ILE . . . -51.22 -16.32 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.083 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -97.48 -34.79 10.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.059 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -13.4 61.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.005 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.567 ' CD2' HG12 ' A' ' 103' ' ' ILE . 46.2 m-85 -106.83 155.4 19.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.044 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 172.06 8.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.751 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -86.79 100.15 12.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.787 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -91.86 155.53 18.13 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.84 112.79 23.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.748 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.6 m -113.98 165.01 9.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.086 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.474 ' O ' HG13 ' A' ' 94' ' ' VAL . 24.7 t-20 -115.1 152.53 32.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.742 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 75' ' ' VAL . 1.0 OUTLIER -112.48 98.4 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.048 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -143.01 155.61 44.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.045 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.49 137.2 3.1 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.547 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 91' ' ' TRP . 70.7 mt -135.51 136.5 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.931 0.396 . . . . 0.0 110.922 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.515 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -114.76 170.42 13.25 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.527 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.433 HG21 ' HA ' ' A' ' 84' ' ' PRO . 34.7 m -137.42 157.36 34.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 111.213 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.613 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 11.6 m-85 -137.99 153.32 73.43 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.502 0.668 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 52.9 Cg_endo -69.79 -28.79 6.08 Favored 'Cis proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.826 -1.739 . . . . 0.0 112.188 0.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -155.89 158.7 31.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.685 0.755 . . . . 0.0 111.032 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.433 ' HA ' HG21 ' A' ' 80' ' ' VAL . 62.3 Cg_exo -47.94 -55.68 3.79 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.621 2.214 . . . . 0.0 112.428 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -43.11 -40.5 3.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.772 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -131.22 90.31 2.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 74.8 t -79.46 131.86 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.179 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -127.31 -30.76 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.2 t -142.67 122.09 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.234 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 96.1 mt -89.07 128.29 41.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.613 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 19.5 p-90 -139.97 140.93 36.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.885 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.8 159.44 15.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.78 150.74 16.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.474 HG13 ' O ' ' A' ' 74' ' ' ASN . 90.4 t -109.13 146.72 14.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.877 0.37 . . . . 0.0 111.042 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.537 ' O ' ' C ' ' A' ' 96' ' ' ASN . 6.2 pt-20 -71.79 -175.71 1.46 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.537 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.9 OUTLIER -26.64 109.71 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.13 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.41 29.82 6.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.776 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -40.38 -61.93 0.84 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.815 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 11.3 mm -42.79 -47.65 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 58.9 mt -66.85 -34.53 70.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.215 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -61.98 -63.07 1.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.948 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -50.44 -29.54 10.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.567 HG12 ' CD2' ' A' ' 68' ' ' TYR . 65.5 mt -73.46 -44.69 53.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.194 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.08 -36.28 77.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.222 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -71.67 -42.73 67.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -60.42 -50.05 75.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.467 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 53.1 mt -51.49 -39.37 22.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.323 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.514 ' HA ' HD12 ' A' ' 111' ' ' LEU . 4.9 t70 -75.58 -49.32 18.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.949 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 108' ' ' ASP . 6.1 t0 -37.3 -32.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.021 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.592 ' OE2' HG23 ' A' ' 60' ' ' ILE . 3.3 mt-10 -82.99 -40.6 19.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.728 HD21 HG13 ' A' ' 57' ' ' ILE . 27.3 mt -64.73 -38.65 91.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.727 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -41.69 -31.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -78.32 -37.57 44.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.513 HD12 HD23 ' A' ' 111' ' ' LEU . 37.6 mt -72.41 -24.73 61.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.992 0.425 . . . . 0.0 110.839 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 116.98 62.13 0.32 Allowed Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.558 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.517 ' CD1' ' HB3' ' A' ' 111' ' ' LEU . 51.5 m-85 -131.3 172.23 12.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.976 0.417 . . . . 0.0 110.812 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.0 tttt -100.71 152.23 20.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.953 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -118.38 135.62 54.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.874 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -99.95 122.98 43.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.902 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.86 -67.39 2.24 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.41 124.05 44.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.969 0.414 . . . . 0.0 110.77 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.475 ' CE1' ' O ' ' A' ' 43' ' ' LEU . 87.0 t80 -98.35 146.11 26.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 97.7 t -141.2 113.62 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.213 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.78 102.54 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.188 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 26.1 p-80 -136.24 165.0 26.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.969 0.414 . . . . 0.0 110.748 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.597 ' N ' HD12 ' A' ' 126' ' ' ILE . 1.7 mp -136.16 107.35 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.096 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 94.1 m -62.76 109.53 1.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.291 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 34' ' ' VAL . 60.4 mt -72.37 -49.69 32.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -171.88 -179.23 42.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.528 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -122.48 146.55 47.28 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.884 0.373 . . . . 0.0 110.767 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.507 HG22 HG12 ' A' ' 31' ' ' ILE . 93.4 t -96.55 114.57 33.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.073 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.93 -50.02 6.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.79 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.555 ' O ' ' CD1' ' A' ' 133' ' ' PHE . 24.2 p90 -160.98 125.46 3.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.066 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.463 HG11 HD11 ' A' ' 140' ' ' LEU . 2.3 p -124.62 150.46 29.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.139 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -106.21 -49.85 3.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.033 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -88.3 93.75 9.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.732 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 138' ' ' LEU . 30.6 ttpt -61.95 -56.54 18.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.756 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.606 HD22 ' CE ' ' A' ' 142' ' ' MET . 30.1 mt -34.26 -49.55 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.761 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -44.83 -56.16 5.94 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.729 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.463 HD11 HG11 ' A' ' 134' ' ' VAL . 43.5 mt -41.7 -61.19 1.14 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.764 0.316 . . . . 0.0 111.001 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -61.91 -59.49 5.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.04 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.606 ' CE ' HD22 ' A' ' 138' ' ' LEU . 8.4 mmt -37.94 -36.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.791 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 146' ' ' GLU . 24.5 mtmt -83.23 -56.66 3.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.456 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 55.4 mt -37.29 -46.55 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.874 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -60.77 -39.93 90.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 143' ' ' LYS . 20.4 mm-40 -72.2 -44.03 63.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.752 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 3.8 mp -84.93 10.04 12.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.943 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 144' ' ' LEU . . . -80.38 -38.29 30.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -109.79 -20.0 12.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -47.54 112.16 0.51 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -74.19 150.28 40.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.676 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.446 ' HB2' HG13 ' A' ' 75' ' ' VAL . 76.4 m-85 -112.65 -22.17 10.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.029 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 123.47 -166.86 15.82 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.539 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.8 p -134.62 179.3 6.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.024 0.44 . . . . 0.0 110.746 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -174.85 157.04 2.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 8.1 mt -108.76 127.87 64.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.262 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.704 HG22 HG21 ' A' ' 7' ' ' ILE . 27.5 t -74.96 97.09 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.055 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -97.07 -70.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -98.56 168.35 10.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.074 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 161' ' ' GLU . 91.6 mt -124.19 156.76 31.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.18 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.482 ' N ' HG22 ' A' ' 160' ' ' ILE . 6.5 tt0 -135.72 137.39 41.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.746 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.501 HD13 ' CG2' ' A' ' 5' ' ' ILE . 15.5 tp -124.18 126.16 45.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.801 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -127.27 170.2 12.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.956 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.712 ' HD2' HD21 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -118.79 157.25 27.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.776 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 40.7 t -134.29 119.42 18.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.666 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 92.4 m -134.81 99.41 4.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.086 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 71.5 mt -70.84 123.51 22.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.983 0.42 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 43.3 p -123.58 155.77 65.48 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.609 0.718 . . . . 0.0 111.317 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -47.82 -32.99 18.37 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.835 2.357 . . . . 0.0 112.442 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -80.55 -26.53 37.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.718 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 153.58 170.38 19.62 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.57 127.42 14.72 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.7 2.266 . . . . 0.0 112.377 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 38.1 mm -100.03 127.17 53.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.845 0.355 . . . . 0.0 111.087 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -125.63 119.69 28.74 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.069 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -143.73 144.14 31.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.837 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.18 140.89 40.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.208 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.712 HD21 ' HD2' ' A' ' 164' ' ' LYS . 17.7 mt -106.16 -38.39 6.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -162.04 137.79 7.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.055 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -128.12 112.47 14.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.442 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 2.1 m-85 -91.05 97.83 11.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.052 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.793 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.409 ' HE3' ' HB ' ' A' ' 49' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.628 0.251 . . . . 0.0 110.773 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -94.67 80.12 3.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.967 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -88.01 154.03 20.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.759 ' O ' HD12 ' A' ' 162' ' ' LEU . 7.5 p90 -167.52 142.18 3.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.734 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.616 ' CD1' HD13 ' A' ' 107' ' ' ILE . 44.3 pt -85.56 140.57 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.028 0.442 . . . . 0.0 111.242 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.457 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -135.89 154.12 51.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.821 HG21 HG22 ' A' ' 157' ' ' VAL . 88.1 mt -104.17 114.82 44.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.245 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -37.94 140.6 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.792 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.6 m -123.57 91.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.038 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.0 t -44.53 169.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.936 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -50.36 -35.89 30.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.3 p -40.4 -37.74 0.72 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.027 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.3 t -97.7 -56.87 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.534 ' O ' HG23 ' A' ' 18' ' ' VAL . 27.4 mtt180 -41.93 -62.08 0.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.742 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.89 -40.7 66.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.99 -64.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.144 0.497 . . . . 0.0 111.256 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.9 mt -49.79 -46.05 50.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 14' ' ' ARG . 95.1 t -58.52 -41.87 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.239 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -51.51 -41.82 61.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.482 ' HB1' ' CD2' ' A' ' 147' ' ' LEU . . . -67.01 -49.85 64.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.059 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.542 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 50.1 mt-30 -47.33 -62.16 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.993 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' GLN . 31.1 t70 -36.64 -42.29 0.35 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.989 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -74.64 -41.25 60.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 21' ' ' GLN . 96.2 mt -55.14 -51.54 53.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.87 162.41 1.42 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.245 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 76.0 p -131.85 42.86 3.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.979 0.418 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.7 tttt -88.7 -56.64 3.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.0 mp0 -77.41 -51.66 10.42 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.7 143.21 30.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.205 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -94.55 91.76 6.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.717 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.1 mt -115.75 111.14 34.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.128 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.72 89.47 3.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.542 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 14.2 m-85 -57.53 -179.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.706 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.519 HG12 ' HB2' ' A' ' 38' ' ' ASN . 84.8 t -120.73 144.77 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.066 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.476 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 48.4 mt-10 -37.42 156.26 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.805 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.517 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 14.0 mtt85 -66.29 -45.33 80.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -85.47 24.08 1.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.959 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.519 ' HB2' HG12 ' A' ' 34' ' ' VAL . 2.8 m-80 -121.86 9.12 9.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.517 ' CE2' ' HA ' ' A' ' 36' ' ' ARG . 30.2 m-85 -86.6 6.94 28.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.586 ' CE1' ' HD2' ' A' ' 163' ' ' LYS . 5.4 p-80 -49.24 135.6 16.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.714 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.482 HG12 HD11 ' A' ' 126' ' ' ILE . 38.0 mt -75.29 115.89 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.218 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 45.9 m -66.22 95.29 0.29 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.202 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.637 HD12 HD11 ' A' ' 7' ' ' ILE . 5.2 tt -56.05 -50.58 70.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.014 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.604 ' HB3' HD11 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -155.1 119.03 4.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.835 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -71.83 136.92 47.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.82 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.581 ' CB ' HD11 ' A' ' 49' ' ' ILE . 12.2 mt -103.4 -65.2 1.02 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.838 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.87 -127.56 8.01 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.367 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.449 ' C ' HG13 ' A' ' 49' ' ' ILE . 3.1 tp10 -77.94 128.1 33.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.94 0.4 . . . . 0.0 110.764 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.967 HD12 ' HB3' ' A' ' 3' ' ' ALA . 13.3 mt -148.43 146.71 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.046 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.3 p -94.99 145.86 24.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -43.55 -33.25 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.049 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -69.87 -71.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -40.43 -35.27 0.42 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.055 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.511 ' HA ' HD13 ' A' ' 57' ' ' ILE . . . -41.58 -54.3 3.25 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.057 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -48.74 -36.44 16.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 110.823 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 57' ' ' ILE . 4.6 tp10 -58.7 -63.06 1.43 Allowed 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.946 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.823 HG13 HD21 ' A' ' 111' ' ' LEU . 4.0 mp -36.6 -59.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 178' ' ' ALA . 58.9 mttt -43.5 -58.78 2.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -47.67 -42.4 24.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.992 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.76 -54.01 41.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.276 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 53.8 mt -53.51 -41.85 66.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.112 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -51.86 -41.68 62.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -77.74 -48.61 16.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.871 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.566 HD12 HG12 ' A' ' 107' ' ' ILE . 8.0 mt -57.23 -62.19 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.03 0.443 . . . . 0.0 111.063 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.69 -15.2 0.43 Allowed 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -90.32 -51.06 5.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.042 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.534 ' HZ1' ' HE1' ' A' ' 68' ' ' TYR . 6.9 pttp -68.15 -9.5 47.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.534 ' HE1' ' HZ1' ' A' ' 67' ' ' LYS . 41.4 m-85 -110.37 155.1 22.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.027 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -99.06 178.76 4.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.058 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.474 ' CE ' ' HG2' ' A' ' 158' ' ' GLU . 6.6 ptmt -112.54 106.5 14.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.862 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.503 ' O ' HG23 ' A' ' 156' ' ' ILE . 63.4 t60 -99.42 173.7 6.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.019 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.448 ' CB ' HG12 ' A' ' 156' ' ' ILE . 0.4 OUTLIER -112.31 132.28 55.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.8 m -130.6 169.48 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.989 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.446 ' HB2' ' CD ' ' A' ' 95' ' ' GLU . 2.7 m120 -113.13 154.98 25.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.0 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.502 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.7 p -125.85 125.01 67.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.234 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.507 ' NE ' ' O ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -174.35 175.16 2.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.799 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.95 136.77 0.14 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.479 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.574 HG23 ' O ' ' A' ' 91' ' ' TRP . 68.3 mt -133.35 133.94 57.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.332 . . . . 0.0 111.191 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.61 172.85 16.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.563 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.6 m -140.06 156.16 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.778 0.323 . . . . 0.0 111.261 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.55 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 10.6 m-85 -138.36 152.34 71.17 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.568 0.699 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.4 Cg_endo -69.36 -28.57 6.04 Favored 'Cis proline' 0 CA--C 1.523 -0.04 0 C-N-CA 122.802 -1.749 . . . . 0.0 112.372 -0.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -158.37 161.19 29.03 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 121.664 0.745 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -47.77 -60.1 1.0 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.741 2.294 . . . . 0.0 112.304 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -39.89 -40.08 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.782 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -130.8 89.01 2.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.067 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 86.7 t -83.66 129.67 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.6 mmm-85 -125.25 -40.42 2.13 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.474 HG22 ' HG3' ' A' ' 130' ' ' ARG . 67.2 t -127.77 126.02 66.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.093 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 70.1 mt -93.68 130.53 42.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.574 ' O ' HG23 ' A' ' 78' ' ' ILE . 60.0 p-90 -146.04 146.06 30.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.979 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -94.81 167.03 11.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.254 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -129.18 155.1 20.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.588 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 89.6 t -117.54 146.12 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.909 0.385 . . . . 0.0 111.182 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.516 ' O ' ' C ' ' A' ' 96' ' ' ASN . 3.2 pt-20 -72.28 -175.6 1.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.077 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.516 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.6 OUTLIER -27.94 108.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.41 ' OD2' ' HB3' ' A' ' 124' ' ' ALA . 1.2 p30 -122.41 52.07 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 101' ' ' LYS . 43.5 mt-10 -51.98 -70.42 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.477 HD13 ' HE3' ' A' ' 102' ' ' LYS . 21.4 mm -36.92 -54.89 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.826 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.462 HG23 ' HG ' ' A' ' 43' ' ' LEU . 45.1 mt -58.31 -38.94 72.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.934 0.397 . . . . 0.0 111.096 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 98' ' ' GLU . 47.0 mtpt -67.04 -57.85 6.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.014 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.477 ' HE3' HD13 ' A' ' 99' ' ' ILE . 14.1 ptpt -52.17 -43.18 63.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.678 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.531 HG12 ' CG ' ' A' ' 68' ' ' TYR . 96.0 mt -67.15 -43.46 88.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.44 -38.93 66.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.0 tttt -67.09 -38.57 85.92 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.827 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.484 ' HG3' ' CE ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -67.37 -43.5 81.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.067 0.461 . . . . 0.0 110.983 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.616 HD13 ' CD1' ' A' ' 5' ' ' ILE . 32.3 mt -61.43 -42.49 94.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.172 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -76.06 -30.82 58.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.134 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.8 -51.53 68.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.642 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -64.13 -52.96 56.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.83 HD23 HD12 ' A' ' 114' ' ' LEU . 24.6 mt -51.03 -36.58 40.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.713 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.7 -35.42 0.48 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.194 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -47.59 48.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.754 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.83 HD12 HD23 ' A' ' 111' ' ' LEU . 27.9 mt -61.84 -7.79 4.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 106.79 56.61 0.63 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.546 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.539 ' CG ' ' HB3' ' A' ' 111' ' ' LEU . 11.6 m-85 -130.24 173.25 10.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.032 0.444 . . . . 0.0 110.913 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -126.69 137.76 53.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.961 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -109.64 141.8 41.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.987 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 120' ' ' GLY . 4.6 tp10 -99.25 122.79 42.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.075 0.464 . . . . 0.0 110.817 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 119' ' ' GLU . . . -37.81 -63.82 0.83 Allowed Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -99.59 129.18 45.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.889 0.376 . . . . 0.0 110.828 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.55 ' CZ ' ' O ' ' A' ' 43' ' ' LEU . 34.7 t80 -95.11 153.52 17.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.81 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 91.0 t -136.33 121.68 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.177 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.41 ' HB3' ' OD2' ' A' ' 97' ' ' ASP . . . -95.75 104.91 16.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.037 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.54 ' C ' HD12 ' A' ' 126' ' ' ILE . 5.4 p-80 -140.65 167.64 21.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.54 HD12 ' C ' ' A' ' 125' ' ' HIS . 4.4 mp -137.43 106.31 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.908 0.385 . . . . 0.0 111.052 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 93.2 m -63.53 109.4 1.63 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 65.3 mt -74.95 -37.14 62.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.12 0.486 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 172.41 170.19 35.94 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.504 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.474 ' HG3' HG22 ' A' ' 89' ' ' VAL . 2.3 mpp_? -110.09 147.46 33.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.701 0.286 . . . . 0.0 111.114 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.0 t -90.81 114.46 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.932 0.396 . . . . 0.0 111.19 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.407 ' N ' ' HD2' ' A' ' 132' ' ' LYS . 0.0 OUTLIER -82.23 -55.83 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.899 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -163.9 135.55 4.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.635 HG11 HD11 ' A' ' 140' ' ' LEU . 2.4 p -132.38 152.85 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.278 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 34.6 tttp -107.92 -46.09 3.85 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.765 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -89.52 101.46 14.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.984 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 138' ' ' LEU . 3.1 mmmm -67.35 -57.71 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.775 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 137' ' ' LYS . 40.7 mt -37.86 -51.15 1.3 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.039 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -46.37 -41.38 11.91 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.632 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.635 HD11 HG11 ' A' ' 134' ' ' VAL . 76.8 mt -56.07 -59.14 5.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.995 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.2 -58.36 6.19 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.12 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.6 mmt -44.47 -33.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.752 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -78.51 -54.18 6.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.963 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 148' ' ' ALA . 40.6 mt -39.57 -57.72 1.42 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.828 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm -40.17 -41.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -68.34 -40.5 81.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.044 0.45 . . . . 0.0 110.798 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.482 ' CD2' ' HB1' ' A' ' 20' ' ' ALA . 4.8 mp -108.83 30.94 6.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.959 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 144' ' ' LEU . . . -75.78 -49.83 16.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.094 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -133.07 25.69 4.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -56.47 132.21 50.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -76.74 130.4 37.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.009 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.502 ' HB2' HG13 ' A' ' 75' ' ' VAL . 18.7 m-85 -102.57 -37.18 8.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.846 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 138.87 -164.54 25.77 Favored Glycine 0 CA--C 1.512 -0.13 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.524 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.2 p -132.02 174.19 10.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.841 0.353 . . . . 0.0 110.981 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -175.37 144.17 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.671 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.503 HG23 ' O ' ' A' ' 71' ' ' HIS . 50.2 mt -99.03 126.39 52.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.964 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.821 HG22 HG21 ' A' ' 7' ' ' ILE . 53.4 t -71.93 92.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.139 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.474 ' HG2' ' CE ' ' A' ' 70' ' ' LYS . 3.6 mt-10 -93.91 -68.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.797 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.655 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -99.44 169.7 9.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.111 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 16.9 mt -140.49 154.2 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -146.98 135.96 22.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.007 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.759 HD12 ' O ' ' A' ' 4' ' ' PHE . 12.5 tp -94.22 132.63 38.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . 0.586 ' HD2' ' CE1' ' A' ' 40' ' ' HIS . 10.6 mttm -117.73 144.13 45.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.436 ' HD3' HD21 ' A' ' 177' ' ' LEU . 11.6 pttm -111.62 145.53 39.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.066 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 28.8 t -125.33 124.67 42.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.134 0.492 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 66.3 m -137.38 105.35 5.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.005 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.44 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 23.7 mt -71.19 131.61 43.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 47.1 p -134.39 155.8 79.46 Favored Pre-proline 0 C--O 1.235 0.329 0 CA-C-O 121.498 0.666 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_exo -47.95 -33.08 19.3 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.745 2.297 . . . . 0.0 112.452 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -80.26 -24.51 40.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 149.98 172.12 19.06 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.379 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . 0.44 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 55.2 Cg_endo -69.6 132.03 22.72 Favored 'Trans proline' 0 CA--C 1.529 0.232 0 C-N-CA 122.832 2.355 . . . . 0.0 112.264 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 48.9 mm -99.18 130.28 48.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.019 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . 0.441 ' CD2' ' OD1' ' A' ' 38' ' ' ASN . 5.5 m-85 -136.22 118.94 16.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -156.16 145.22 20.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 14.5 m -74.75 134.38 41.86 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.436 HD21 ' HD3' ' A' ' 164' ' ' LYS . 20.5 mt -98.52 -32.48 11.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.43 ' HB1' ' CZ ' ' A' ' 180' ' ' PHE . . . -141.24 128.51 21.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.026 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 179' ' ' ARG . . . . . 0.405 ' NH2' ' HB2' ' A' ' 181' ' ' GLU . 0.0 OUTLIER -118.26 105.03 11.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.973 0.416 . . . . 0.0 110.849 -179.798 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.655 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 11.0 m-85 -101.62 98.04 8.39 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.744 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . 0.405 ' HB2' ' NH2' ' A' ' 179' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.544 ' HE2' ' HB ' ' A' ' 49' ' ' ILE . 6.3 ptt? . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.802 0.334 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -87.07 71.34 10.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 1.05 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -69.74 140.57 53.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.584 ' O ' HD12 ' A' ' 162' ' ' LEU . 3.3 p90 -156.11 139.4 15.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.737 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.503 ' CG2' HD13 ' A' ' 162' ' ' LEU . 44.1 pt -93.33 144.07 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.09 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.598 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -141.25 161.37 38.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.853 HG21 HG22 ' A' ' 157' ' ' VAL . 52.9 mt -104.71 138.68 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.067 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -59.21 141.63 53.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.009 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 9' ' ' VAL . 11.4 m -123.37 89.58 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.93 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.4 t -41.34 162.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.649 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -46.52 -44.31 17.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.0 p -39.75 -33.24 0.18 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.755 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.445 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 76.5 t -95.48 -55.05 6.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.0 mtt180 -42.45 -63.79 0.71 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.732 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -35.82 69.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -58.76 -52.54 65.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.1 mt -63.47 -48.57 77.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -57.21 -40.81 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.019 0.437 . . . . 0.0 111.232 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.8 ttm-85 -48.7 -45.37 39.08 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.34 -49.01 71.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.251 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.582 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 45.2 mt-30 -45.43 -58.4 3.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.18 -42.59 2.1 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -74.15 -43.26 58.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.3 mt -53.09 -50.85 43.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.917 0.389 . . . . 0.0 111.005 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.95 151.76 0.02 OUTLIER Glycine 0 C--O 1.228 -0.242 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.46 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 90.7 p -115.57 41.5 2.49 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.018 0.437 . . . . 0.0 110.96 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -83.4 -59.76 2.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -76.62 -48.42 19.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.89 151.27 21.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.038 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -105.36 84.77 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.807 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.426 HG12 HG22 ' A' ' 131' ' ' VAL . 38.1 mt -108.79 134.35 51.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.079 0.466 . . . . 0.0 111.027 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -97.13 90.95 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.946 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.582 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 16.5 m-85 -60.67 174.86 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.74 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.582 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 40.6 t -123.41 148.64 27.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.06 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -41.0 159.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.837 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -44.93 68.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.992 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.1 22.48 0.96 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.997 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -125.11 9.09 8.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.582 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 20.9 m-85 -93.24 4.59 53.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.013 0.435 . . . . 0.0 110.959 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.598 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 1.1 p-80 -46.79 123.0 4.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 66.1 mt -50.97 115.18 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.237 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.1 m -70.05 81.84 0.5 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.992 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -39.51 -57.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.526 ' HE3' HD23 ' A' ' 46' ' ' LEU . 29.0 tttp -151.73 141.36 21.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -93.41 139.62 30.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.81 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.526 HD23 ' HE3' ' A' ' 44' ' ' LYS . 8.7 mt -110.32 -63.37 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.965 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 106.11 -130.07 10.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.457 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -71.47 132.5 44.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.877 0.37 . . . . 0.0 110.769 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.05 HD12 ' HB3' ' A' ' 3' ' ' ALA . 35.5 mt -149.19 145.0 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.25 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' GLU . 19.1 p -88.03 135.99 33.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.131 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -39.53 -27.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.98 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' THR . 18.3 mt-10 -76.06 -62.16 1.69 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.41 -33.09 52.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.157 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -40.15 -39.66 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' A' ' 56' ' ' GLU . 7.7 pt-20 -71.08 -43.27 68.08 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 55' ' ' GLU . 0.7 OUTLIER -48.36 -38.09 18.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.94 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.637 HG13 HD21 ' A' ' 111' ' ' LEU . 1.8 mp -61.84 -40.61 87.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.186 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.593 ' HE3' HD23 ' A' ' 162' ' ' LEU . 4.6 mptt -61.41 -66.63 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.116 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 58' ' ' LYS . 58.6 mmtt -34.86 -51.34 0.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.038 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 90.3 mt -53.91 -51.99 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.44 -35.87 80.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.971 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 66' ' ' LYS . 5.9 tp10 -49.66 -31.08 10.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.126 0.488 . . . . 0.0 111.009 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 59' ' ' LYS . 1.4 mptp? -94.36 -46.89 6.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.699 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.84 HG21 HG23 ' A' ' 103' ' ' ILE . 46.3 mt -50.76 -48.94 27.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.158 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.443 ' HB2' HD12 ' A' ' 160' ' ' ILE . . . -60.73 -10.19 5.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -101.29 -52.63 3.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.822 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.408 ' CG ' ' HA ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -63.66 -9.41 13.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -116.49 156.54 26.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.998 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -107.03 -177.47 3.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.434 ' HB2' HG22 ' A' ' 156' ' ' ILE . 0.0 OUTLIER -115.1 106.25 13.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.612 ' CE1' ' CG1' ' A' ' 73' ' ' VAL . 0.6 OUTLIER -93.34 157.55 16.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.809 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -94.44 102.87 14.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.073 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.612 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 35.3 m -105.0 172.1 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.998 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -121.17 160.77 23.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.647 HG13 ' HB2' ' A' ' 152' ' ' PHE . 3.0 p -124.08 109.64 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.172 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.5 ttp85 -157.8 143.56 17.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.81 145.84 15.37 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.533 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 91' ' ' TRP . 43.2 mt -142.16 133.16 25.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-O 120.826 0.346 . . . . 0.0 111.098 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.446 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -113.98 166.38 12.14 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.56 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.3 m -134.56 166.79 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.109 0.481 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.544 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 13.4 m-85 -150.62 152.62 32.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.678 0.752 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.6 Cg_endo -69.7 -20.36 10.73 Favored 'Cis proline' 0 C--N 1.343 0.242 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.538 -0.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -166.41 161.62 12.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.555 0.693 . . . . 0.0 110.914 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -48.09 -62.72 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.213 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -38.49 -39.23 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -132.68 93.03 3.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.992 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.4 t -86.54 130.59 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.261 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -124.1 -36.49 2.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.012 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.48 HG22 ' CD ' ' A' ' 130' ' ' ARG . 89.2 t -133.62 123.02 44.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.045 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 63.9 mt -91.2 129.98 41.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.094 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.544 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 40.0 p-90 -145.01 143.96 30.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.885 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -94.38 167.48 11.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.44 155.72 18.3 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.623 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 87.8 t -111.0 145.03 17.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.746 0.307 . . . . 0.0 111.017 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.512 ' O ' ' C ' ' A' ' 96' ' ' ASN . 35.8 mt-10 -70.98 -176.57 1.4 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.801 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.512 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.0 OUTLIER -27.3 101.06 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.981 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.539 ' HB2' HD12 ' A' ' 100' ' ' ILE . 2.0 p30 -118.1 51.98 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.691 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -52.28 -70.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.714 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.438 ' HB ' ' CE1' ' A' ' 71' ' ' HIS . 43.8 mm -40.15 -61.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.178 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.539 HD12 ' HB2' ' A' ' 97' ' ' ASP . 75.9 mt -42.55 -40.62 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -63.65 -44.97 92.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.971 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -58.99 -57.39 13.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.84 HG23 HG21 ' A' ' 64' ' ' ILE . 81.2 mt -54.93 -37.47 41.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.47 -39.61 88.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.991 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -76.02 -34.22 59.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -69.93 -41.48 74.54 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.777 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.54 ' CD1' HG22 ' A' ' 103' ' ' ILE . 64.0 mt -60.46 -38.2 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 109' ' ' ASP . 21.9 t0 -79.22 -51.42 9.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.691 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 108' ' ' ASP . 1.9 t70 -34.17 -39.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.099 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -79.68 -52.98 7.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.673 HD23 HD12 ' A' ' 114' ' ' LEU . 49.8 mt -49.4 -45.97 46.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.839 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 111' ' ' LEU . . . -34.55 -35.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.981 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 111' ' ' LEU . 0.3 OUTLIER -74.02 -46.08 45.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.836 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.673 HD12 HD23 ' A' ' 111' ' ' LEU . 42.7 mt -63.25 -25.86 68.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.061 0.457 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 122.01 62.97 0.22 Allowed Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.435 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.461 ' CG ' ' HB3' ' A' ' 111' ' ' LEU . 37.2 m-85 -136.19 151.97 50.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.759 0.314 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 118' ' ' LYS . 20.3 tptt -87.89 146.98 25.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.799 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 117' ' ' LYS . 9.7 ttmt -115.07 138.79 50.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.04 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -99.88 123.38 44.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -43.19 -66.66 1.13 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -99.96 146.37 26.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.875 0.369 . . . . 0.0 111.008 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -99.94 149.49 23.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.68 121.07 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.176 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.19 105.81 17.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -141.02 165.12 28.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.925 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.55 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.1 mp -136.81 108.72 6.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.055 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 85.2 m -62.85 115.9 4.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.953 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 40.8 mt -79.67 -36.45 37.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.012 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -179.48 -174.49 45.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.472 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.48 ' CD ' HG22 ' A' ' 89' ' ' VAL . 3.9 mmm180 -121.53 137.11 54.87 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.799 0.333 . . . . 0.0 110.948 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.426 HG22 HG12 ' A' ' 31' ' ' ILE . 58.5 t -89.28 110.82 22.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.271 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.81 -56.69 3.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.811 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -155.07 135.06 12.95 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.404 HG11 HD21 ' A' ' 140' ' ' LEU . 2.6 p -139.75 147.93 23.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.283 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -107.35 -51.03 2.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -66.49 88.28 0.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.821 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -58.67 -62.05 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 63.6 mt -42.14 -43.58 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -47.51 -46.12 23.16 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.658 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.404 HD21 HG11 ' A' ' 134' ' ' VAL . 42.8 mt -45.98 -56.27 5.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.996 0.426 . . . . 0.0 111.078 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -73.52 -61.24 1.9 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.223 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 141' ' ' ALA . 13.6 mmt -37.12 -43.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.795 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -71.4 -58.28 3.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 37.0 mt -37.57 -59.76 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.004 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp -42.88 -53.33 4.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -56.2 -43.91 78.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.791 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.9 mp -95.05 33.27 1.54 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.747 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -98.88 -35.05 10.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.145 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 150' ' ' GLU . 2.3 m120 -112.18 -26.28 8.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 149' ' ' ASN . 8.5 tm-20 -35.94 106.47 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.81 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -67.04 146.93 53.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.72 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.647 ' HB2' HG13 ' A' ' 75' ' ' VAL . 36.7 m-85 -109.01 -36.61 6.03 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 140.19 -167.44 25.45 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 36.3 p -137.61 168.1 20.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.822 0.344 . . . . 0.0 110.986 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -171.94 160.67 5.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.804 0.335 . . . . 0.0 111.049 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.434 HG22 ' HB2' ' A' ' 70' ' ' LYS . 66.9 mt -110.65 125.07 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-O 120.986 0.422 . . . . 0.0 111.207 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.853 HG22 HG21 ' A' ' 7' ' ' ILE . 53.2 t -76.77 97.93 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.246 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -100.18 -63.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -93.81 165.98 12.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . 0.443 HD12 ' HB2' ' A' ' 65' ' ' ALA . 34.7 mt -126.43 142.46 42.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.28 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -122.28 153.64 38.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.078 0.466 . . . . 0.0 110.704 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.593 HD23 ' HE3' ' A' ' 58' ' ' LYS . 13.2 tp -143.38 134.3 25.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.957 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -140.06 156.51 46.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.047 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.647 ' HB3' HD11 ' A' ' 177' ' ' LEU . 3.3 pttp -113.58 143.08 45.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 5.9 m -120.72 120.13 34.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.163 0.506 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 97.8 m -135.27 102.42 5.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.07 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 167' ' ' LEU . 11.6 mt -68.35 134.69 50.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 46.4 p -137.76 155.29 75.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.556 0.693 . . . . 0.0 111.521 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -47.99 -31.56 16.15 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.302 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -80.08 -33.43 38.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 158.06 171.66 24.26 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.454 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.64 128.24 15.85 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.551 2.168 . . . . 0.0 112.316 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 46.5 mm -98.28 119.43 46.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.978 0.418 . . . . 0.0 111.129 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -128.79 113.27 15.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.499 ' CG ' ' HE3' ' A' ' 164' ' ' LYS . 4.1 pt-20 -144.67 148.99 34.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 3.5 m -76.6 144.72 39.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.184 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.647 HD11 ' HB3' ' A' ' 164' ' ' LYS . 61.8 mt -112.2 -35.51 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.549 ' HB2' ' CE ' ' A' ' 58' ' ' LYS . . . -147.31 133.29 19.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -135.96 109.45 7.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -111.95 97.86 6.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.835 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 ptt? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.948 0.404 . . . . 0.0 110.719 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -91.64 70.01 5.76 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.958 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . . . -67.34 152.75 45.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.082 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.656 ' O ' HD12 ' A' ' 162' ' ' LEU . 19.8 p90 -168.73 140.84 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.629 HD11 ' HB3' ' A' ' 44' ' ' LYS . 30.9 pt -91.06 147.79 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.164 0.507 . . . . 0.0 111.049 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.59 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -146.31 169.04 19.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.041 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.111 HG21 HG22 ' A' ' 157' ' ' VAL . 63.0 mt -113.62 120.01 62.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.202 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -49.31 126.67 13.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 m -105.36 91.06 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.0 t -41.48 163.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' SER . 34.4 mm-40 -47.97 -44.94 30.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' GLU . 78.1 p -36.93 -46.94 0.67 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.635 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 84.4 t -83.11 -57.0 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -38.67 -63.87 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.25 -27.51 55.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.859 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -63.18 -55.9 21.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.468 ' HA ' ' CE1' ' A' ' 152' ' ' PHE . 72.0 mt -63.62 -47.92 79.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.725 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.715 HG21 ' HD3' ' A' ' 36' ' ' ARG . 87.0 t -55.71 -36.88 44.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.999 0.428 . . . . 0.0 111.186 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.5 ttm-85 -52.95 -46.0 67.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.804 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.478 ' HB1' HD21 ' A' ' 147' ' ' LEU . . . -65.05 -46.17 82.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.68 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 49.1 mt-30 -46.46 -58.02 4.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -42.03 -38.99 1.79 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.752 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -74.32 -31.09 62.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 21' ' ' GLN . 67.4 mt -70.4 -60.83 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.47 156.95 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.343 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.4 p -112.02 55.34 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.99 0.424 . . . . 0.0 111.032 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -84.65 -50.7 7.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.492 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 2.0 pm0 -99.35 -40.99 7.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.492 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -100.91 152.92 19.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.094 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -105.78 105.64 15.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.726 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.6 mt -133.14 130.24 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.173 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -99.62 100.66 11.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.68 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 20.8 m-85 -67.26 175.04 2.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.785 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.551 ' HB ' ' CE1' ' A' ' 39' ' ' PHE . 49.1 t -113.98 148.75 16.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.078 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -46.06 170.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.833 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.715 ' HD3' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -77.22 -41.8 39.87 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.935 -179.873 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -85.31 25.68 0.98 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.412 ' OD1' ' CD2' ' A' ' 174' ' ' TYR . 3.1 m-80 -131.96 12.13 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.792 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.551 ' CE1' ' HB ' ' A' ' 34' ' ' VAL . 17.3 m-85 -97.62 6.43 48.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.996 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.59 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 2.4 p-80 -53.42 124.47 14.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 62.1 mt -55.47 118.15 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.216 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.5 m -71.45 87.21 0.87 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.181 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 tt -47.41 -54.19 11.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.629 ' HB3' HD11 ' A' ' 5' ' ' ILE . 1.3 tmtp? -152.81 121.32 6.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -77.97 131.61 37.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.603 ' CB ' HD11 ' A' ' 49' ' ' ILE . 12.7 mt -99.99 -65.78 0.94 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.765 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.87 -129.67 9.92 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.607 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.25 125.14 23.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.9 0.381 . . . . 0.0 110.979 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.958 ' CD1' ' HB3' ' A' ' 3' ' ' ALA . 38.4 mt -147.84 153.0 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.402 ' N ' HG22 ' A' ' 49' ' ' ILE . 61.8 p -102.2 146.33 28.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -48.78 -20.21 0.45 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -85.98 -69.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.536 ' OE1' HD22 ' A' ' 114' ' ' LEU . 15.3 mm-40 -42.88 -29.5 0.33 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.08 -52.0 22.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.16 -26.31 66.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 0.8 OUTLIER -64.53 -42.78 95.55 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.785 -179.813 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.94 HG13 HD21 ' A' ' 111' ' ' LEU . 2.5 mp -62.94 -45.21 99.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.265 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.459 ' CE ' ' HB2' ' A' ' 178' ' ' ALA . 50.9 mttp -44.99 -64.46 0.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.03 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 56' ' ' GLU . 14.9 ptmt -49.34 -44.74 44.84 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.899 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 57' ' ' ILE . 82.1 mt -55.36 -45.21 77.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 62' ' ' GLU . 41.9 mt -70.87 -56.58 5.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.791 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 61' ' ' LEU . 23.5 tp10 -36.3 -36.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.802 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -83.98 -51.49 7.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.839 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 80.1 mt -53.79 -57.23 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.361 . . . . 0.0 111.187 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.458 ' HB2' HD12 ' A' ' 160' ' ' ILE . . . -59.75 -9.06 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.122 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -97.65 -35.24 10.65 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.506 ' HG3' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -78.39 -17.6 56.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.981 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.509 ' CG ' HG12 ' A' ' 103' ' ' ILE . 50.4 m-85 -103.29 158.22 16.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -99.99 -178.74 3.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.034 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.571 ' HB2' HG22 ' A' ' 156' ' ' ILE . 0.0 OUTLIER -117.56 109.25 16.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.069 0.461 . . . . 0.0 111.052 179.691 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -98.34 137.53 36.92 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.771 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -74.3 99.92 3.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.815 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.9 m -99.13 175.59 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 75' ' ' VAL . 6.6 t-20 -127.8 163.32 24.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.055 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.479 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 1.5 p -126.93 116.0 43.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.317 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -158.41 149.56 20.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.862 -179.811 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.462 ' N ' ' HD3' ' A' ' 76' ' ' ARG . . . 92.2 144.4 13.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.308 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.597 HG23 ' O ' ' A' ' 91' ' ' TRP . 96.5 mt -140.02 141.69 33.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.794 0.33 . . . . 0.0 111.16 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.3 174.47 15.42 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.465 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.434 HG21 ' HA ' ' A' ' 84' ' ' PRO . 33.6 m -139.27 161.58 28.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.849 0.357 . . . . 0.0 111.049 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.705 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 12.0 m-85 -143.13 154.16 60.98 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 121.667 0.746 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.4 Cg_endo -69.61 -20.38 10.62 Favored 'Cis proline' 0 C--N 1.343 0.279 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.315 -0.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -165.52 160.42 13.86 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.538 0.685 . . . . 0.0 110.964 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.434 ' HA ' HG21 ' A' ' 80' ' ' VAL . 63.4 Cg_exo -47.8 -57.16 2.49 Favored 'Trans proline' 0 CA--C 1.526 0.09 0 C-N-CA 122.76 2.307 . . . . 0.0 112.395 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -41.34 -40.68 1.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.744 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -131.97 96.58 3.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.057 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.0 t -86.83 130.49 36.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -127.52 -35.26 2.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 94.2 t -135.39 122.13 34.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.067 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 64.3 mt -91.46 136.02 25.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.258 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.705 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 29.7 p-90 -150.89 141.13 22.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.038 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.74 166.84 12.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.014 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -126.35 159.49 20.67 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.382 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 90.4 t -109.8 147.47 14.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.869 0.366 . . . . 0.0 111.166 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.509 ' O ' ' C ' ' A' ' 96' ' ' ASN . 5.0 mm-40 -70.87 -176.53 1.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.509 ' C ' ' O ' ' A' ' 95' ' ' GLU . 2.0 t30 -28.88 103.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.774 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.501 ' HB2' HD12 ' A' ' 100' ' ' ILE . 2.7 p30 -126.96 50.63 1.95 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.65 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -59.37 -50.03 75.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 42.7 mm -53.82 -40.44 43.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.204 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.501 HD12 ' HB2' ' A' ' 97' ' ' ASP . 55.3 mt -73.09 -15.05 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.136 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -85.87 -52.24 5.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.997 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -60.61 -35.19 75.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.022 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.509 HG12 ' CG ' ' A' ' 68' ' ' TYR . 86.4 mt -65.77 -49.24 78.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.047 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.426 ' CB ' ' CE2' ' A' ' 122' ' ' PHE . . . -55.62 -41.0 72.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.19 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -58.98 -35.56 73.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.776 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -72.86 -40.78 65.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 72.9 mt -66.18 -33.65 64.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.101 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.489 ' CG ' ' HZ2' ' A' ' 44' ' ' LYS . 20.2 t0 -82.13 -41.72 20.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.957 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -55.3 -27.93 50.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.718 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -85.14 -45.23 12.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 110.743 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.96 HD23 HD12 ' A' ' 114' ' ' LEU . 65.9 mt -62.96 -35.0 78.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -41.37 -34.26 0.5 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.036 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -73.74 -41.92 61.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.96 HD12 HD23 ' A' ' 111' ' ' LEU . 78.7 mt -63.18 -25.87 68.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 119.36 55.6 0.26 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.694 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 111' ' ' LEU . 78.4 m-85 -128.76 166.22 19.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.931 0.396 . . . . 0.0 110.905 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -85.45 150.54 24.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.811 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.76 115.23 24.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.817 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -88.89 116.3 27.07 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.47 -59.83 9.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.556 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -91.96 127.82 37.57 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.803 0.335 . . . . 0.0 110.822 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.426 ' CE2' ' CB ' ' A' ' 104' ' ' ALA . 11.2 t80 -98.95 142.76 30.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.026 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 84.4 t -143.33 131.89 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.66 110.6 23.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -144.66 161.12 39.96 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.829 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.548 ' N ' HD12 ' A' ' 126' ' ' ILE . 3.7 mp -134.55 100.21 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.052 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 86.6 m -54.29 118.91 4.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.939 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.408 ' O ' HG23 ' A' ' 34' ' ' VAL . 53.1 mt -80.8 -42.05 22.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 179.88 -171.4 42.9 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.545 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.447 ' N ' ' HD2' ' A' ' 130' ' ' ARG . 2.8 mpt_? -125.51 152.65 44.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.794 0.33 . . . . 0.0 110.975 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 88.7 t -101.51 121.66 52.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.291 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -92.53 -49.44 6.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 133' ' ' PHE . 4.7 p90 -163.06 139.38 7.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.696 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.4 p -139.23 148.74 23.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.983 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -104.14 -48.35 3.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.83 108.01 8.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -71.68 -65.59 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 32.3 mt -40.54 -44.83 2.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -45.31 -48.86 10.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.365 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 47.6 mt -45.97 -63.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.695 0.284 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -64.09 -62.92 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.241 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 141' ' ' ALA . 14.3 mmt -36.53 -45.31 0.49 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 146' ' ' GLU . 2.9 ttmm -68.23 -57.05 6.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.833 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 33.9 mt -37.87 -48.36 1.13 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.923 0.392 . . . . 0.0 110.986 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.46 ' N ' ' HE3' ' A' ' 145' ' ' LYS . 0.2 OUTLIER -56.41 -41.06 75.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.792 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.455 ' C ' HD12 ' A' ' 147' ' ' LEU . 7.8 mm-40 -63.68 -33.97 76.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.839 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.478 HD21 ' HB1' ' A' ' 20' ' ' ALA . 5.9 mp -112.03 38.55 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -98.72 -30.09 12.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.312 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 150' ' ' GLU . 2.3 m-80 -125.66 -13.27 6.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.675 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 149' ' ' ASN . 2.2 tt0 -37.55 131.05 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.944 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -84.17 144.93 28.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.468 ' CE1' ' HA ' ' A' ' 17' ' ' LEU . 37.6 m-85 -113.95 -33.87 5.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 133.91 -165.89 24.14 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.597 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 25.0 p -141.86 165.52 27.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.67 0.271 . . . . 0.0 110.954 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -168.25 173.47 7.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.571 HG22 ' HB2' ' A' ' 70' ' ' LYS . 56.3 mt -117.44 134.02 62.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 1.111 HG22 HG21 ' A' ' 7' ' ' ILE . 22.3 t -90.44 95.89 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.124 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -97.93 -70.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.81 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.431 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -89.31 171.2 9.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.184 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . 0.458 HD12 ' HB2' ' A' ' 65' ' ' ALA . 78.5 mt -132.42 141.78 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -122.03 117.59 26.72 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.82 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 4' ' ' PHE . 14.9 tp -96.24 122.64 39.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.791 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . 0.413 ' HD2' ' CE1' ' A' ' 40' ' ' HIS . 61.6 mttt -124.77 151.87 44.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.797 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.64 ' HB3' HD11 ' A' ' 177' ' ' LEU . 12.6 pttt -118.37 154.63 32.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.932 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 8.7 t -126.8 134.78 50.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 62.6 m -138.9 105.57 5.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.115 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.416 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 23.0 mt -72.61 130.92 41.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 81.2 p -133.39 156.35 79.84 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-O 121.509 0.671 . . . . 0.0 111.188 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -48.26 -32.02 18.5 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.719 2.279 . . . . 0.0 112.287 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.31 -27.48 38.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.82 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 152.73 173.04 21.74 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . 0.416 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 53.0 Cg_endo -69.75 126.8 13.75 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.493 2.129 . . . . 0.0 112.386 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 7.7 mm -99.49 138.79 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.018 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . 0.412 ' CD2' ' OD1' ' A' ' 38' ' ' ASN . 5.6 m-85 -138.36 131.7 30.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.808 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -160.75 147.83 15.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.058 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 24.5 m -73.28 149.62 42.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.218 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.64 HD11 ' HB3' ' A' ' 164' ' ' LYS . 49.1 mt -107.45 -32.87 7.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.0 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.459 ' HB2' ' CE ' ' A' ' 58' ' ' LYS . . . -174.36 129.61 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.122 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.64 112.94 24.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.981 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' PHE . . . . . 0.431 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 10.6 m-85 -96.26 97.57 9.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.763 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 47' ' ' GLY . 3.0 tpt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.622 0.248 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.434 ' CB ' ' O ' ' A' ' 165' ' ' SER . 11.6 ttp180 -72.56 66.25 0.7 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.761 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.463 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -63.97 155.0 32.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.136 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.566 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 17.8 p90 -175.03 128.56 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.851 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.813 HD11 ' HB3' ' A' ' 44' ' ' LYS . 16.6 pt -87.36 132.25 33.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -130.8 170.89 13.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.862 HG21 HG22 ' A' ' 157' ' ' VAL . 41.5 mt -110.51 122.04 64.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.025 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -50.0 133.5 22.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.886 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 9' ' ' VAL . 25.0 m -111.72 87.38 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 t -39.01 153.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 12' ' ' SER . 26.3 mt-10 -37.71 -50.1 1.18 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 11' ' ' GLU . 88.9 p -34.3 -44.99 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.79 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.487 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 90.4 t -89.36 -62.84 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.119 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.511 ' O ' HG23 ' A' ' 18' ' ' VAL . 16.5 ttm180 -34.86 -58.82 0.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -38.18 83.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.774 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -50.14 -67.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.8 mt -45.42 -41.58 9.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.995 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 14' ' ' ARG . 64.4 t -59.31 -43.7 90.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.043 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.2 ttm-85 -53.26 -41.67 65.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.25 -46.77 69.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.675 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 59.0 mt-30 -55.69 -50.37 70.46 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -49.8 -42.41 46.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.786 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -67.89 -33.46 74.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.7 mt -71.91 -68.83 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.21 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.8 164.46 3.43 Favored Glycine 0 C--O 1.229 -0.167 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.32 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.2 p -109.9 43.49 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 110.758 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -64.35 -62.69 1.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -96.46 -47.01 6.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.82 142.96 27.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.967 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -96.29 104.57 16.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.607 HG12 HG22 ' A' ' 131' ' ' VAL . 11.8 mt -129.62 118.75 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.041 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -88.07 87.34 7.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.98 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.675 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 17.2 m-85 -59.24 164.1 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.514 HG12 ' N ' ' A' ' 35' ' ' GLU . 57.5 t -100.28 158.78 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.201 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.514 ' N ' HG12 ' A' ' 34' ' ' VAL . 8.6 mm-40 -50.4 159.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.082 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -69.73 -45.54 67.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -83.56 23.37 0.96 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -126.36 9.36 7.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -86.34 9.26 18.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.965 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.486 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 6.2 p-80 -54.54 133.1 46.1 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.967 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.8 mt -69.72 120.37 17.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.35 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 84.0 m -71.95 105.55 3.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 43' ' ' LEU . 4.5 tt -74.33 -53.1 10.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.987 0.422 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.813 ' HB3' HD11 ' A' ' 5' ' ' ILE . 21.6 tptt -144.87 121.19 10.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -84.07 129.57 34.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.818 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.529 ' HB3' HD11 ' A' ' 49' ' ' ILE . 14.8 mt -108.04 -48.86 3.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.799 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 83.97 -137.35 15.93 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.35 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.426 ' CD ' ' N ' ' A' ' 49' ' ' ILE . 3.4 tm-20 -65.29 140.49 58.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.077 0.465 . . . . 0.0 110.814 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.529 HD11 ' HB3' ' A' ' 46' ' ' LEU . 12.9 mt -155.5 158.52 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.073 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.424 ' N ' HG22 ' A' ' 49' ' ' ILE . 72.6 p -98.42 148.58 23.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.108 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -52.33 -23.88 6.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.082 0.468 . . . . 0.0 111.117 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -81.42 -39.39 25.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.666 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -75.68 -33.09 60.36 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.801 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -42.63 -34.34 0.87 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.136 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -75.33 -38.45 60.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.877 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -54.21 -57.71 10.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.748 ' H ' HD12 ' A' ' 57' ' ' ILE . 4.0 mp -45.38 -45.93 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.201 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.81 ' HE3' ' HB2' ' A' ' 178' ' ' ALA . 60.6 mttp -53.14 -55.55 23.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.193 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.43 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 2.7 mptp? -45.62 -54.76 7.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.859 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.441 HG22 ' CD1' ' A' ' 64' ' ' ILE . 83.8 mt -51.59 -48.12 36.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.225 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 58' ' ' LYS . 26.7 mt -58.78 -47.78 83.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.073 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -52.68 -32.69 43.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.849 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -84.53 -60.29 2.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.465 HD12 HG12 ' A' ' 107' ' ' ILE . 61.5 mt -48.85 -60.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.088 0.471 . . . . 0.0 111.195 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.22 -13.38 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.053 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -96.57 -22.31 17.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.449 ' HG3' ' CD1' ' A' ' 68' ' ' TYR . 15.3 ptpt -90.28 -16.36 29.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.73 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.567 ' CE2' HG13 ' A' ' 103' ' ' ILE . 52.7 m-85 -103.1 168.7 9.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -112.33 -174.93 2.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.491 ' HB3' HG22 ' A' ' 156' ' ' ILE . 8.3 mptt -107.32 98.45 8.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.707 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.462 ' O ' HG23 ' A' ' 156' ' ' ILE . 21.3 t-80 -86.81 161.7 18.21 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.998 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -109.05 102.05 11.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 33.3 m -105.47 179.6 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.033 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -137.56 148.8 46.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.802 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.604 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.1 p -106.42 112.71 40.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.072 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.417 ' NE ' ' OE2' ' A' ' 95' ' ' GLU . 0.6 OUTLIER -156.88 152.59 26.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.1 139.99 5.53 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.633 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.495 HD11 ' HZ ' ' A' ' 152' ' ' PHE . 45.0 mt -134.24 134.67 55.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 0.0 111.068 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.463 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -115.01 156.61 15.55 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.618 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.481 HG11 HD21 ' A' ' 144' ' ' LEU . 34.6 m -126.48 161.28 32.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.75 0.309 . . . . 0.0 111.27 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.704 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 13.1 m-85 -143.55 154.04 59.33 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.775 0.798 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.0 Cg_endo -69.57 -25.3 8.01 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.341 -0.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -159.59 158.63 27.73 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.694 0.759 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.404 ' O ' HG23 ' A' ' 87' ' ' VAL . 61.7 Cg_exo -47.63 -61.74 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.648 2.232 . . . . 0.0 112.483 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -41.2 -33.97 0.42 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.758 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -134.51 88.32 2.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 84' ' ' PRO . 88.2 t -85.28 125.4 40.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -123.47 -28.73 3.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 98.2 t -137.43 116.48 14.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.983 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.466 HD12 HG21 ' A' ' 31' ' ' ILE . 74.0 mt -88.37 132.11 34.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.068 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.704 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 43.0 p-90 -149.06 140.98 23.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.79 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.08 162.94 15.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.78 142.74 14.49 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.55 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 92.3 t -97.9 148.34 5.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.826 0.346 . . . . 0.0 111.272 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 96' ' ' ASN . 13.6 mm-40 -70.83 -176.7 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.468 ' C ' ' O ' ' A' ' 95' ' ' GLU . 3.4 t30 -32.3 94.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 95' ' ' GLU . 9.9 p-10 -114.35 36.99 3.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.806 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -47.02 -55.2 8.61 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.8 mm -49.98 -45.86 22.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.419 HG22 ' O ' ' A' ' 100' ' ' ILE . 76.4 mt -72.44 -16.16 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.187 0.517 . . . . 0.0 111.195 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.53 ' HA ' ' CD2' ' A' ' 122' ' ' PHE . 0.6 OUTLIER -81.38 -57.45 3.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.935 179.745 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.451 ' N ' ' HD2' ' A' ' 101' ' ' LYS . 12.3 ptpt -56.87 -29.6 63.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.567 HG13 ' CE2' ' A' ' 68' ' ' TYR . 62.8 mt -72.79 -51.17 28.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.268 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.58 -38.06 59.25 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.403 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -73.04 -38.61 66.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -65.0 -42.18 94.73 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.774 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.465 HG12 HD12 ' A' ' 64' ' ' ILE . 43.4 mt -62.81 -38.95 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 111.156 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.516 ' HA ' HD12 ' A' ' 111' ' ' LEU . 33.5 t0 -74.17 -55.71 5.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 108' ' ' ASP . 0.4 OUTLIER -35.29 -41.69 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.814 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -75.07 -43.91 50.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.063 0.459 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.685 HD23 HD12 ' A' ' 114' ' ' LEU . 51.7 mt -56.18 -25.05 45.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -53.16 -34.15 55.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.98 0.419 . . . . 0.0 111.232 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -72.17 -48.35 43.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.685 HD12 HD23 ' A' ' 111' ' ' LEU . 12.7 mt -62.23 -8.07 5.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.047 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 100.85 56.42 0.9 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.487 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -130.83 167.0 19.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.981 0.42 . . . . 0.0 110.792 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -82.17 147.22 29.14 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.953 0.406 . . . . 0.0 110.956 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.498 ' HD3' ' N ' ' A' ' 119' ' ' GLU . 0.5 OUTLIER -100.4 125.4 46.66 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.975 179.758 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.498 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 52.3 mt-10 -99.89 95.92 7.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -51.54 -63.68 4.49 Favored Glycine 0 C--O 1.229 -0.201 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.474 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -100.07 119.57 38.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.923 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.53 ' CD2' ' HA ' ' A' ' 101' ' ' LYS . 19.2 t80 -96.55 137.21 35.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.5 t -131.28 118.52 40.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -81.93 99.94 9.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -137.96 160.22 39.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.621 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.0 mp -134.49 104.81 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.012 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 54.3 m -62.13 121.25 12.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.394 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 73.6 mt -85.72 -37.02 19.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.886 0.374 . . . . 0.0 110.748 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 173.41 164.19 28.26 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.485 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 77.6 mtt-85 -104.16 144.66 31.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 111.003 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.607 HG22 HG12 ' A' ' 31' ' ' ILE . 95.1 t -93.21 123.5 45.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.064 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -91.56 -58.2 2.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.827 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -156.13 138.64 14.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.404 ' CG2' ' N ' ' A' ' 135' ' ' LYS . 1.9 p -138.72 153.0 25.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.126 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.404 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 75.7 tttt -109.21 -43.12 4.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.941 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -84.78 119.22 25.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.67 -57.91 2.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 47.3 mt -39.08 -56.81 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.001 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -40.08 -51.73 3.45 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.735 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 46.0 mt -46.71 -64.78 0.68 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.806 0.336 . . . . 0.0 110.743 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -60.23 -57.66 11.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.415 ' C ' ' O ' ' A' ' 141' ' ' ALA . 7.3 mmt -36.91 -37.1 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.983 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 146' ' ' GLU . 21.1 mtmt -83.35 -53.3 5.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.816 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 63.1 mt -40.9 -34.49 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.009 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.89 -36.82 49.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.838 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 143' ' ' LYS . 73.6 mt-10 -70.78 -48.89 51.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.663 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.9 mp -86.48 14.92 6.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.816 ' HB2' ' O ' ' A' ' 144' ' ' LEU . . . -83.79 -27.48 28.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.202 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -120.32 -16.1 8.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.666 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -46.86 111.49 0.4 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.811 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -69.72 137.52 52.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.604 ' HB2' HG13 ' A' ' 75' ' ' VAL . 58.6 m-85 -102.12 -35.37 8.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 139.92 -177.12 20.79 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.483 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 30.1 p -138.25 169.4 17.85 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.799 0.333 . . . . 0.0 110.79 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -173.93 176.45 2.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.035 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.491 HG22 ' HB3' ' A' ' 70' ' ' LYS . 70.6 mt -118.55 130.8 72.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.862 HG22 HG21 ' A' ' 7' ' ' ILE . 99.3 t -84.57 96.72 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 182' ' ' LEU . 12.5 mt-10 -100.11 -68.46 0.81 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.605 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -90.36 161.61 15.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.079 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 84.2 mt -119.69 148.76 22.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -127.82 127.11 42.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.734 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 178' ' ' ALA . 12.4 tp -108.27 115.87 30.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.805 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -113.96 162.21 16.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.479 ' CE ' ' HG2' ' A' ' 175' ' ' GLU . 0.2 OUTLIER -122.32 145.3 48.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.828 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' A' ' 2' ' ' ARG . 11.3 t -124.76 133.98 52.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.657 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 27.2 m -146.12 106.94 4.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.221 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 13.2 mt -75.43 134.78 40.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.029 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 21.6 p -139.7 155.45 71.45 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 121.698 0.761 . . . . 0.0 111.161 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -48.1 -32.02 17.72 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.478 2.119 . . . . 0.0 112.541 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -80.04 -23.96 41.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 146.98 172.86 17.67 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.467 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.63 131.9 22.4 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.734 2.289 . . . . 0.0 112.36 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 46.3 mm -109.02 143.43 19.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -137.78 121.29 17.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.479 ' HG2' ' CE ' ' A' ' 164' ' ' LYS . 10.9 pt-20 -138.08 143.28 40.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.782 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 6.4 m -79.96 143.41 34.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 67.5 mt -116.67 -41.34 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.81 ' HB2' ' HE3' ' A' ' 58' ' ' LYS . . . -143.46 142.36 31.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.198 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -145.03 108.43 4.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.043 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.605 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 4.7 m-85 -99.34 97.63 8.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.843 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -100.79 111.75 24.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.119 0.485 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 158' ' ' GLU . 21.2 mt -56.81 -63.21 1.28 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 2.2 t -62.43 147.55 48.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -57.51 155.6 9.3 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -63.92 166.15 7.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 33.0 m170 58.28 41.89 22.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.81 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.43 ' CD2' ' H ' ' A' ' 187' ' ' HIS . 8.0 p80 -60.11 -59.08 5.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.791 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . 0.403 ' H ' ' CG ' ' A' ' 187' ' ' HIS . 71.5 m-70 -124.78 137.38 54.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -88.59 114.08 24.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 24.0 m170 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 -179.917 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ptt? . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.605 0.241 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -83.03 75.98 9.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.944 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -72.16 155.02 40.7 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.158 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.432 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 28.7 p90 -171.93 132.32 0.69 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.939 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.724 HD11 ' HB3' ' A' ' 44' ' ' LYS . 39.0 pt -90.26 142.44 12.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.4 ' CB ' ' HB2' ' A' ' 40' ' ' HIS . . . -139.86 168.53 19.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.167 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.937 HG21 HG22 ' A' ' 157' ' ' VAL . 44.1 mt -105.33 128.16 59.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.082 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -58.83 122.36 13.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.773 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 9' ' ' VAL . 35.3 m -104.78 90.93 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.237 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.5 t -39.46 160.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.973 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -45.45 -39.14 6.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.009 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.3 t -39.06 -45.77 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.428 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 70.3 t -78.89 -61.06 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' VAL . 68.9 mtt180 -36.4 -65.29 0.28 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -47.53 -43.54 25.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.751 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -57.67 -55.34 36.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.43 -50.87 71.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.534 HG21 ' HD3' ' A' ' 36' ' ' ARG . 85.6 t -53.47 -41.36 44.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.059 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -48.46 -45.4 36.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.703 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.71 -48.71 76.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.601 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 46.9 mt-30 -45.8 -57.7 4.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.792 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -41.7 -43.37 2.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.901 0.381 . . . . 0.0 111.099 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -73.17 -45.53 56.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.014 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.499 HG23 ' HD3' ' A' ' 143' ' ' LYS . 51.4 mt -53.33 -55.68 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.77 168.81 1.35 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.612 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.5 m -132.77 48.77 2.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.072 0.463 . . . . 0.0 110.827 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -84.99 -60.49 2.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.932 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -75.49 -48.66 21.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.982 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.52 155.31 17.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.044 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.522 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 2.2 tmtp? -104.49 84.93 2.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.753 HG12 HG22 ' A' ' 131' ' ' VAL . 24.2 mt -110.32 126.49 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.069 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -96.5 93.9 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.779 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.601 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 17.7 m-85 -61.35 176.08 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.008 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 35' ' ' GLU . 42.0 t -122.21 154.96 27.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.433 ' N ' HG12 ' A' ' 34' ' ' VAL . 6.0 mm-40 -45.44 165.95 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.719 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.534 ' HD3' HG21 ' A' ' 18' ' ' VAL . 11.0 mtm105 -76.61 -43.42 38.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.806 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -83.51 20.71 1.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.549 ' OD1' ' CD2' ' A' ' 174' ' ' TYR . 1.9 m-80 -117.84 -5.59 11.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.93 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -79.17 7.32 7.77 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.93 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.4 ' HB2' ' CB ' ' A' ' 6' ' ' ALA . 3.6 p-80 -43.08 110.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 64.9 mt -50.12 111.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.5 m -68.1 114.75 6.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.763 HD12 HD11 ' A' ' 7' ' ' ILE . 5.4 tt -86.12 -56.28 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.724 ' HB3' HD11 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -136.01 115.65 12.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -85.57 126.08 33.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.768 ' CB ' HD11 ' A' ' 49' ' ' ILE . 26.4 mt -100.55 -66.04 0.93 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.09 -127.88 9.39 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.622 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -65.5 125.1 24.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.955 0.407 . . . . 0.0 110.962 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.944 HD12 ' HB3' ' A' ' 3' ' ' ALA . 18.3 mt -150.83 147.06 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.982 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' GLU . 28.0 p -96.3 131.74 42.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.144 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -42.67 -23.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.805 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 50' ' ' THR . 7.4 pt-20 -79.44 -43.75 22.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.99 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.44 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 8.5 mm-40 -79.08 -20.26 49.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.066 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.403 ' HA ' HD13 ' A' ' 57' ' ' ILE . . . -52.17 -54.81 26.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -44.84 -36.55 3.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' OE1' ' C ' ' A' ' 56' ' ' GLU . 0.9 OUTLIER -59.13 -60.19 4.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.0 -179.836 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.768 ' H ' HD12 ' A' ' 57' ' ' ILE . 3.9 mp -44.29 -58.48 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.097 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 59' ' ' LYS . 48.5 mttt -40.62 -63.45 0.64 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' LYS . 6.6 mmpt? -37.03 -58.1 0.8 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.777 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.467 HG22 HD12 ' A' ' 64' ' ' ILE . 78.7 mt -45.43 -44.74 3.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.27 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.558 HD11 HG21 ' A' ' 5' ' ' ILE . 57.7 mt -65.06 -35.67 81.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.97 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -57.1 -44.62 83.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.688 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -73.99 -60.35 2.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.787 HG21 HG23 ' A' ' 103' ' ' ILE . 96.7 mt -48.76 -54.29 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.94 -13.26 1.03 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 66' ' ' LYS . 0.8 OUTLIER -102.69 -39.48 7.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.48 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 8.9 ptmt -67.56 -20.58 65.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.947 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -101.94 158.45 16.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -102.44 173.61 6.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -97.42 101.27 12.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.983 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.471 ' CB ' HG13 ' A' ' 99' ' ' ILE . 73.7 t60 -97.03 165.35 12.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -108.73 106.41 16.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.788 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.7 m -102.94 170.42 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.118 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.466 ' O ' HG13 ' A' ' 94' ' ' VAL . 2.7 m120 -116.59 161.04 19.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.772 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.0 p -128.25 110.42 21.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.048 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 18.3 ttt180 -159.04 146.71 17.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.955 0.407 . . . . 0.0 111.018 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.421 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 105.72 148.71 17.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.321 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 22.4 mt -142.46 131.92 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.347 . . . . 0.0 111.198 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -117.04 158.81 14.3 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.461 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.474 HG21 ' HA ' ' A' ' 84' ' ' PRO . 32.7 m -128.25 149.27 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.02 0.438 . . . . 0.0 111.052 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.58 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 10.5 m-85 -132.15 147.94 67.81 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.846 0.831 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 53.8 Cg_endo -69.8 -36.32 2.38 Favored 'Cis proline' 0 C--N 1.343 0.275 0 C-N-CA 122.773 -1.761 . . . . 0.0 112.299 -0.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.46 159.56 32.47 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.723 0.773 . . . . 0.0 110.806 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.474 ' HA ' HG21 ' A' ' 80' ' ' VAL . 65.2 Cg_exo -47.88 -53.96 5.87 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.606 2.204 . . . . 0.0 112.436 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -40.74 -42.24 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -133.44 80.57 1.88 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.06 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.8 t -71.46 132.27 33.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 20.4 mmm-85 -124.03 -42.41 2.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 71.9 t -129.88 125.24 60.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.287 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 57.2 mt -90.98 126.55 43.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.092 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.58 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 50.8 p-90 -140.91 140.59 34.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.009 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.69 166.63 12.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.003 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -127.31 152.54 18.78 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.658 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 74' ' ' ASN . 94.9 t -104.52 148.75 8.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.965 0.412 . . . . 0.0 111.201 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.477 ' O ' ' C ' ' A' ' 96' ' ' ASN . 68.8 mm-40 -71.34 -176.66 1.55 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.98 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.477 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.6 OUTLIER -32.02 95.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.969 0.414 . . . . 0.0 111.033 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 95' ' ' GLU . 1.2 p30 -109.26 37.18 2.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -38.04 -64.92 0.37 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.471 HG13 ' CB ' ' A' ' 71' ' ' HIS . 47.3 mm -43.82 -70.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.07 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 90.2 mt -45.12 -35.99 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -32.3 70.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.198 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 99' ' ' ILE . 1.4 mtpm? -69.29 -33.91 73.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.733 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.787 HG23 HG21 ' A' ' 64' ' ' ILE . 65.4 mt -75.89 -38.95 37.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.069 0.461 . . . . 0.0 111.238 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.46 -41.67 73.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 106' ' ' GLU . 14.5 pttp -78.01 -35.32 50.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.981 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.445 ' N ' ' HG3' ' A' ' 105' ' ' LYS . 3.2 tp10 -64.86 -42.09 95.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.61 ' CD1' HG22 ' A' ' 103' ' ' ILE . 55.6 mt -64.46 -39.93 87.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -71.23 -42.06 69.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -42.5 -28.86 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -95.05 -48.21 6.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.064 0.459 . . . . 0.0 110.911 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.528 HD23 HD12 ' A' ' 114' ' ' LEU . 72.2 mt -52.0 -45.31 64.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.198 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 111' ' ' LEU . . . -37.77 -38.18 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.26 -43.15 82.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.046 0.45 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.528 HD12 HD23 ' A' ' 111' ' ' LEU . 29.4 mt -66.65 -10.72 49.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 99.83 54.73 1.03 Allowed Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.279 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -121.96 151.69 40.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.962 0.411 . . . . 0.0 110.767 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 29.5 tttp -72.21 139.93 48.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -113.44 129.08 56.63 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -98.51 122.62 41.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.752 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -46.37 -69.08 0.9 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.565 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -98.98 139.15 35.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.897 0.379 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -97.73 135.52 39.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 73.4 t -134.62 116.84 22.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -84.92 104.78 15.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.536 ' C ' HD12 ' A' ' 126' ' ' ILE . 14.2 p-80 -133.05 169.1 17.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.622 ' N ' HD12 ' A' ' 126' ' ' ILE . 3.0 mp -139.95 114.57 7.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.173 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 79.7 m -68.59 112.18 5.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.058 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 49.5 mt -78.19 -39.22 41.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 178.08 176.45 46.06 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.553 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -118.35 146.37 44.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.996 0.427 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.753 HG22 HG12 ' A' ' 31' ' ' ILE . 90.1 t -95.68 122.92 47.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.265 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.1 -58.22 2.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.94 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.522 ' CE2' ' HG3' ' A' ' 30' ' ' LYS . 9.8 p90 -151.72 136.45 17.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 3.6 p -138.1 151.58 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.323 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -106.7 -47.45 3.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -76.71 105.09 7.57 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -70.8 -63.33 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.969 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 39.4 mt -44.69 -45.55 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.954 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -44.21 -41.6 6.45 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 69.8 mt -55.21 -62.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.92 0.391 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.41 -56.36 22.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.024 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.1 mmt -44.71 -36.25 3.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.765 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.499 ' HD3' HG23 ' A' ' 24' ' ' ILE . 13.6 ttmm -72.72 -58.62 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 63.3 mt -38.73 -54.6 1.57 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.769 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -49.11 -45.52 43.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.924 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -62.27 -39.34 92.58 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.6 mp -105.12 36.66 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.812 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -98.04 -35.44 10.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 150' ' ' GLU . 3.1 m120 -110.61 -26.44 9.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.799 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 149' ' ' ASN . 6.0 tm-20 -37.5 112.86 0.23 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.042 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -71.98 163.96 26.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -124.04 -36.06 2.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.774 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 136.18 -160.02 24.54 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.63 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 80.1 p -143.26 174.87 10.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 110.897 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -173.46 164.37 4.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.819 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 51.1 mt -114.35 127.51 71.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.225 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.937 HG22 HG21 ' A' ' 7' ' ' ILE . 86.6 t -74.19 96.48 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.56 ' HB3' HD12 ' A' ' 182' ' ' LEU . 6.4 mt-10 -93.18 -69.83 0.73 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -100.13 160.16 14.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 57.8 mt -115.29 141.88 30.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.418 ' OE1' ' N ' ' A' ' 162' ' ' LEU . 0.0 OUTLIER -120.81 138.44 54.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.418 ' N ' ' OE1' ' A' ' 161' ' ' GLU . 14.3 tp -120.06 115.6 24.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.976 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -114.77 159.76 20.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.848 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 177' ' ' LEU . 17.7 pttt -128.67 148.57 50.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.013 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 7.5 m -116.4 126.93 54.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.754 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 99.6 m -131.71 97.29 4.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.291 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 11.7 mt -66.29 133.29 50.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.996 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 33.5 p -136.2 155.88 77.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 121.665 0.745 . . . . 0.0 111.381 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -48.08 -32.84 19.47 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.562 2.175 . . . . 0.0 112.334 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -80.36 -28.74 37.96 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 153.78 173.88 23.38 Favored Glycine 0 C--N 1.329 0.148 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.53 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.45 126.68 13.81 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.593 2.195 . . . . 0.0 112.296 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 14.6 mm -98.31 132.23 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.306 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . 0.549 ' CD2' ' OD1' ' A' ' 38' ' ' ASN . 3.7 m-85 -127.2 130.26 49.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.762 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -160.78 162.88 32.52 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.537 HG21 ' HG3' ' A' ' 179' ' ' ARG . 15.8 m -90.47 153.09 20.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.258 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 164' ' ' LYS . 35.6 mt -120.49 -43.9 2.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -135.69 135.2 39.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.002 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' ARG . . . . . 0.537 ' HG3' HG21 ' A' ' 176' ' ' THR . 49.4 mtp180 -133.51 109.44 9.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.939 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -112.1 98.82 7.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.973 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -100.16 124.04 45.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.56 HD12 ' HB3' ' A' ' 158' ' ' GLU . 47.7 mt -49.63 -53.43 24.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 58.1 p -92.64 140.71 29.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.704 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -90.37 158.0 17.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -83.41 47.39 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.818 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -107.3 85.78 2.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.788 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -139.95 129.45 24.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -71.15 99.34 1.85 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -163.67 164.34 23.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 4.2 t60 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.873 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 47' ' ' GLY . 4.1 ptt? . . . . . 0 C--O 1.235 0.319 0 CA-C-O 120.689 0.28 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -84.42 81.94 8.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.979 0.419 . . . . 0.0 110.879 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.985 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -78.86 140.82 38.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.214 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.453 ' O ' HD12 ' A' ' 162' ' ' LEU . 21.8 p90 -163.69 128.44 2.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.958 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.598 HD11 ' HB3' ' A' ' 44' ' ' LYS . 38.1 pt -85.3 131.6 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.107 0.48 . . . . 0.0 111.062 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.551 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -127.7 165.98 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.797 HG21 HG22 ' A' ' 157' ' ' VAL . 76.2 mt -106.32 127.46 61.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.993 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -56.57 127.23 30.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.784 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 10' ' ' SER . 2.6 m -105.38 90.14 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.113 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 9' ' ' VAL . 17.7 m -37.78 154.72 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.693 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -45.36 -39.11 6.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.656 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 t -41.9 -37.12 1.22 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 16' ' ' ALA . 42.5 t -88.91 -59.83 2.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.454 ' O ' HG23 ' A' ' 18' ' ' VAL . 58.3 mtt180 -36.65 -57.82 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -56.86 -34.74 68.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.025 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 13' ' ' VAL . . . -60.64 -58.82 6.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.002 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.4 mt -55.51 -49.43 72.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.006 0.431 . . . . 0.0 111.051 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 14' ' ' ARG . 99.2 t -55.15 -38.94 48.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.972 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -52.42 -43.38 64.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.18 -48.0 59.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.476 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 47.4 mt-30 -46.4 -59.26 3.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.003 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -42.27 -43.49 3.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.988 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -69.88 -35.96 75.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.809 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.87 -58.34 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.16 145.43 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.446 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.7 p -112.31 48.09 1.02 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.839 0.352 . . . . 0.0 110.944 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -87.99 -58.29 2.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.942 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.88 -50.89 11.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.814 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.92 155.02 17.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.438 ' C ' ' HD2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -105.01 110.27 22.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.546 HG12 HG22 ' A' ' 131' ' ' VAL . 7.7 mt -132.99 129.45 57.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.17 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -93.08 85.96 5.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.866 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.476 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 17.8 m-85 -56.01 166.4 0.78 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.515 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 27.5 t -111.76 146.08 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.226 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -40.16 160.41 0.01 OUTLIER 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.082 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.476 ' N ' ' HD2' ' A' ' 36' ' ' ARG . 6.3 mpt_? -69.42 -45.64 68.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.05 17.9 1.48 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.733 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.469 ' HB2' HG12 ' A' ' 34' ' ' VAL . 2.2 m-80 -121.05 16.33 11.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.515 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 20.0 m-85 -96.33 8.24 44.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.942 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.551 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 3.9 p-80 -50.32 128.19 19.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.6 mt -65.9 115.41 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.283 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.8 m -66.78 100.09 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.224 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 43' ' ' LEU . 4.0 tt -68.69 -53.63 21.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.951 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.598 ' HB3' HD11 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -137.49 122.13 18.58 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -94.76 120.94 35.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.695 ' CB ' HD11 ' A' ' 49' ' ' ILE . 8.5 mt -103.19 -60.97 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 102.32 -124.82 8.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.332 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -69.2 130.48 42.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.839 0.352 . . . . 0.0 110.896 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.985 HD12 ' HB3' ' A' ' 3' ' ' ALA . 10.9 mt -155.62 143.01 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.098 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.6 p -93.34 146.54 23.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -52.13 -30.08 24.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -69.41 -34.24 74.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -88.03 -27.09 22.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.52 -59.83 3.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.064 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -46.27 -25.52 0.64 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.21 -55.7 6.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.957 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.623 HG13 HD21 ' A' ' 111' ' ' LEU . 2.9 mp -47.72 -60.13 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.446 ' HE3' ' HB2' ' A' ' 178' ' ' ALA . 23.0 mttp -39.02 -64.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.9 mtmm -38.65 -58.82 1.0 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.797 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 57' ' ' ILE . 71.9 mt -41.41 -50.66 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.007 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.439 HD21 HD13 ' A' ' 5' ' ' ILE . 15.2 mt -59.87 -50.33 74.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.028 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -40.43 -36.98 0.62 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.72 -53.16 5.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.062 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.404 ' HA ' ' CD ' ' A' ' 67' ' ' LYS . 60.0 mt -50.07 -55.51 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.389 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.45 -7.56 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.05 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -101.7 -37.51 8.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.988 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.404 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 4.1 pttp -82.79 -6.38 59.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.017 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.637 ' CD2' ' CG1' ' A' ' 103' ' ' ILE . 26.3 m-85 -110.48 160.89 16.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.811 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.92 170.43 7.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.795 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -113.52 111.33 21.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.06 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.667 ' O ' HG23 ' A' ' 156' ' ' ILE . 20.8 t60 -99.96 176.71 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.015 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -108.24 98.07 7.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.106 0.479 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 96' ' ' ASN . 16.3 m -96.52 177.94 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.018 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.428 ' CG ' ' HB3' ' A' ' 154' ' ' SER . 3.4 m120 -125.53 167.0 15.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.7 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.475 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.2 p -127.55 96.84 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.012 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -147.54 158.73 44.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.8 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.16 137.96 8.93 Favored Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.442 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.7 mt -139.35 137.77 40.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.06 0.457 . . . . 0.0 111.149 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.52 ' HA3' ' CZ2' ' A' ' 91' ' ' TRP . . . -123.13 162.75 16.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.392 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.514 HG11 HD21 ' A' ' 144' ' ' LEU . 35.3 m -132.02 155.79 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 111.143 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.528 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 11.9 m-85 -141.18 155.59 68.14 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.618 0.723 . . . . 0.0 110.947 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 52.8 Cg_endo -69.88 -22.19 9.88 Favored 'Cis proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.542 -1.857 . . . . 0.0 112.507 0.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.4 ' CG ' ' C ' ' A' ' 82' ' ' PRO . 0.6 OUTLIER -160.36 159.21 26.3 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.432 0.634 . . . . 0.0 111.114 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.473 ' HA ' HG21 ' A' ' 80' ' ' VAL . 68.2 Cg_exo -47.95 -62.96 0.36 Allowed 'Trans proline' 0 C--O 1.23 0.081 0 C-N-CA 122.78 2.32 . . . . 0.0 112.328 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -45.03 -33.66 2.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -128.17 92.03 3.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.731 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.3 t -86.02 130.85 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.172 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -128.4 -43.49 1.44 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.3 t -129.61 117.36 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.072 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 86.0 mt -88.09 128.41 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.055 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.52 ' CZ2' ' HA3' ' A' ' 79' ' ' GLY . 61.3 p-90 -140.6 147.99 40.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.021 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -97.88 166.89 11.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -125.81 154.91 18.88 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.506 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 74' ' ' ASN . 71.8 t -107.93 147.38 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 111.17 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.491 ' O ' ' C ' ' A' ' 96' ' ' ASN . 9.8 mt-10 -70.85 -176.35 1.32 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.491 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.8 p30 -29.14 94.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.008 0.432 . . . . 0.0 110.884 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 95' ' ' GLU . 1.0 OUTLIER -104.02 48.86 0.83 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.823 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -51.98 -57.32 9.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.63 HG22 HD12 ' A' ' 103' ' ' ILE . 29.7 mm -55.41 -63.05 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.169 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.2 mt -48.85 -19.51 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -85.09 -67.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.409 ' HB2' ' HZ2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -48.39 -20.25 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.926 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.637 ' CG1' ' CD2' ' A' ' 68' ' ' TYR . 60.8 mt -89.51 -42.88 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.39 -31.86 68.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.945 0.403 . . . . 0.0 111.053 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -74.32 -48.08 30.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -62.12 -41.58 98.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.598 ' CD1' HG22 ' A' ' 103' ' ' ILE . 62.1 mt -55.67 -40.01 58.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -80.26 -40.56 26.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -50.61 -27.99 7.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -89.35 -37.29 14.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 1.067 HD23 HD12 ' A' ' 114' ' ' LEU . 57.7 mt -68.73 -28.89 67.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.22 -31.74 6.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.062 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -76.69 -34.63 58.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.936 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 1.067 HD12 HD23 ' A' ' 111' ' ' LEU . 58.2 mt -69.41 -27.35 65.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.977 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 126.49 49.62 0.18 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.481 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -131.97 -176.74 4.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -130.36 144.59 51.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.742 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -113.11 128.35 56.46 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.787 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -99.83 99.55 10.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.976 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -38.67 -46.54 2.18 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.397 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -80.44 92.1 5.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -95.83 137.03 35.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 87.9 t -137.34 112.67 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.224 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.93 105.25 7.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.105 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -136.75 164.29 28.62 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.594 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.5 mp -134.93 105.14 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 69.6 m -59.94 115.13 3.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 40.7 mt -79.15 -33.39 44.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 170.71 179.31 41.94 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.351 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -121.17 144.96 48.3 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.952 0.406 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.546 HG22 HG12 ' A' ' 31' ' ' ILE . 69.8 t -92.31 130.69 41.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.245 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -99.44 -54.35 2.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.797 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.482 ' O ' ' CD1' ' A' ' 133' ' ' PHE . 6.9 p90 -153.57 133.37 13.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.79 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.58 HG21 HD21 ' A' ' 140' ' ' LEU . 2.3 p -133.0 157.56 43.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.047 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.48 ' N ' HG22 ' A' ' 134' ' ' VAL . 9.0 mtpm? -118.92 -41.47 2.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.993 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -78.45 97.27 5.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.69 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -63.17 -66.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 32.4 mt -43.82 -51.45 7.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.019 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -41.3 -48.28 4.56 Favored Glycine 0 CA--C 1.517 0.164 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.275 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.58 HD21 HG21 ' A' ' 134' ' ' VAL . 84.8 mt -43.92 -60.78 1.68 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.712 0.291 . . . . 0.0 110.854 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -68.38 -57.74 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.187 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 10.7 mmt -40.37 -39.04 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.765 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 146' ' ' GLU . 15.6 ttmt -69.51 -57.36 5.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.514 HD21 HG11 ' A' ' 80' ' ' VAL . 61.1 mt -40.05 -49.57 2.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -51.17 -38.53 52.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.016 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 143' ' ' LYS . 10.2 mm-40 -71.77 -33.86 68.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.003 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 3.3 mp -107.22 37.49 2.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.027 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -106.93 -33.71 7.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.243 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -113.26 -16.52 12.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.708 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -50.54 111.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.841 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.63 153.07 42.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.792 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.475 ' HB2' HG13 ' A' ' 75' ' ' VAL . 66.0 m-85 -113.82 -35.46 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 139.93 -164.16 26.15 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.593 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.428 ' HB3' ' CG ' ' A' ' 74' ' ' ASN . 54.1 p -143.58 172.25 13.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.599 0.238 . . . . 0.0 111.009 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -173.43 172.83 3.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.97 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.667 HG23 ' O ' ' A' ' 71' ' ' HIS . 34.1 mt -116.62 131.43 69.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.1 0.476 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.797 HG22 HG21 ' A' ' 7' ' ' ILE . 54.8 t -87.6 92.66 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.192 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.494 ' O ' HD12 ' A' ' 182' ' ' LEU . 13.7 mt-10 -96.86 -70.51 0.71 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.935 0.398 . . . . 0.0 111.046 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.929 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -88.54 178.36 6.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.995 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 161' ' ' GLU . 92.5 mt -132.08 156.72 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.494 ' N ' HG22 ' A' ' 160' ' ' ILE . 47.6 tt0 -137.31 117.47 13.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.779 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.465 HD13 ' CG2' ' A' ' 5' ' ' ILE . 28.3 tp -100.24 128.08 46.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -121.17 160.1 24.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.008 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.516 ' HB2' HD11 ' A' ' 177' ' ' LEU . 18.8 ttpt -125.26 129.46 50.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.955 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.425 ' OG ' ' CZ ' ' A' ' 174' ' ' TYR . 1.6 m -105.46 128.9 53.8 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 85.2 m -134.13 99.93 4.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.261 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 172' ' ' PRO . 25.1 mt -70.26 133.19 46.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 36.4 p -137.87 157.06 73.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.486 0.66 . . . . 0.0 111.235 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -48.1 -31.77 17.13 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.549 2.166 . . . . 0.0 112.368 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -80.47 -24.58 39.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 148.59 173.39 19.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.588 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . 0.439 ' HA ' HD23 ' A' ' 167' ' ' LEU . 52.8 Cg_endo -69.85 126.49 13.31 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.611 2.207 . . . . 0.0 112.231 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 14.0 mm -99.62 139.52 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.181 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . 0.425 ' CZ ' ' OG ' ' A' ' 165' ' ' SER . 5.1 m-85 -133.92 121.22 21.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -146.54 140.61 26.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.686 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 11.9 m -71.98 153.96 41.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.239 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.516 HD11 ' HB2' ' A' ' 164' ' ' LYS . 39.7 mt -117.05 -44.72 2.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.46 ' HB1' ' CZ ' ' A' ' 180' ' ' PHE . . . -142.15 134.67 28.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.164 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' ARG . . . . . 0.438 ' NH1' ' HB3' ' A' ' 179' ' ' ARG . 11.8 mtp-105 -122.19 108.2 13.03 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.789 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.929 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 30.3 m-85 -111.29 99.46 8.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -97.25 136.77 37.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.955 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 158' ' ' GLU . 11.4 mt -119.57 -33.88 3.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 182' ' ' LEU . 4.0 m -36.31 139.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.969 0.414 . . . . 0.0 110.937 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -134.09 -48.22 0.79 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.833 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -39.46 112.98 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 187' ' ' HIS . 13.1 t-160 -96.53 117.39 30.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 186' ' ' HIS . 13.8 p80 -36.29 109.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -86.14 176.13 8.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -100.01 -43.88 6.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.858 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 39.1 t60 . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 120.896 0.379 . . . . 0.0 110.719 -179.906 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 120.655 0.264 . . . . 0.0 110.755 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -95.5 95.88 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.947 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.854 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -94.29 151.27 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.177 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -157.1 141.56 16.59 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.588 HD11 ' HB3' ' A' ' 44' ' ' LYS . 14.5 pt -94.63 116.18 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.328 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.47 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -112.2 162.69 15.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.22 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.841 HG21 HG22 ' A' ' 157' ' ' VAL . 67.3 mt -106.04 125.3 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.162 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.82 126.24 19.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.862 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 10' ' ' SER . 3.5 m -105.94 86.06 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 9' ' ' VAL . 23.0 t -36.05 151.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.886 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -41.21 -43.6 2.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.949 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.8 p -39.65 -46.82 1.89 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.818 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.5 t -77.79 -54.59 12.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.174 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.737 ' O ' HG23 ' A' ' 18' ' ' VAL . 52.1 mtt180 -41.79 -53.68 3.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -38.41 76.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.973 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.23 -67.41 0.38 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.319 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.6 mt -49.63 -42.38 44.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.737 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 14' ' ' ARG . 93.3 t -60.73 -37.02 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.4 ttm-85 -55.16 -40.51 70.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.21 -47.7 70.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.244 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.499 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 51.3 mt-30 -50.78 -58.19 6.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.023 0.44 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -43.4 -32.15 0.8 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.772 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -84.43 -39.2 19.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.864 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 21' ' ' GLN . 95.4 mt -53.25 -50.85 44.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.08 157.36 0.09 OUTLIER Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.397 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.6 p -126.32 41.41 3.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.021 0.439 . . . . 0.0 110.702 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -78.95 -61.48 2.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.062 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -77.59 -44.65 27.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.31 162.77 12.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.406 ' HG2' ' CE2' ' A' ' 133' ' ' PHE . 0.1 OUTLIER -119.85 92.2 3.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.811 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.568 HG12 HG22 ' A' ' 131' ' ' VAL . 40.9 mt -114.2 128.78 71.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.421 ' C ' ' HE3' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -90.85 84.52 5.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.75 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.499 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 13.0 m-85 -56.27 179.1 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.955 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.586 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 61.6 t -120.07 149.71 22.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.181 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -44.65 163.63 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -71.46 -43.94 65.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -83.61 23.93 0.91 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.792 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.406 ' HB2' HG12 ' A' ' 34' ' ' VAL . 2.4 m-80 -128.04 13.1 6.73 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.586 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 38.1 m-85 -96.07 5.18 51.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.811 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.47 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 2.1 p-80 -51.62 126.62 18.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.758 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 63.9 mt -57.31 123.08 7.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.313 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.1 m -76.56 88.84 3.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.983 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.416 HD23 ' C ' ' A' ' 43' ' ' LEU . 4.4 tt -45.86 -57.89 3.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.588 ' HB3' HD11 ' A' ' 5' ' ' ILE . 43.8 tttp -151.61 147.69 27.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.006 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -99.24 133.11 43.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.506 ' CB ' HD11 ' A' ' 49' ' ' ILE . 12.5 mt -103.9 -56.95 2.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.046 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.0 -135.32 12.12 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.414 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -67.77 130.11 41.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.876 0.37 . . . . 0.0 110.798 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.854 HD12 ' HB3' ' A' ' 3' ' ' ALA . 24.1 mt -145.27 146.71 19.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.234 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.2 p -92.85 138.34 31.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.092 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -39.91 -36.78 0.49 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -70.93 -51.71 24.34 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.059 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -58.77 -36.56 74.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -37.45 -57.11 0.95 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.054 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.521 ' CG ' ' N ' ' A' ' 56' ' ' GLU . 4.6 pt-20 -50.14 -49.49 51.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.779 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.521 ' N ' ' CG ' ' A' ' 55' ' ' GLU . 11.0 tp10 -42.37 -63.94 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.862 HG13 HD21 ' A' ' 111' ' ' LEU . 3.8 mp -43.77 -58.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.047 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -42.42 -65.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.007 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -41.06 -61.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.3 mt -38.6 -49.05 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 48.2 mt -59.95 -53.19 60.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.944 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -39.72 -37.46 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -80.99 -56.42 4.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.062 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 67' ' ' LYS . 69.7 mt -54.89 -64.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -46.14 -20.61 0.11 Allowed 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -94.9 -29.21 14.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.703 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -74.98 -16.2 60.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.881 -179.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.406 ' CD2' HG12 ' A' ' 103' ' ' ILE . 53.8 m-85 -105.91 160.76 15.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.758 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -102.85 -174.99 2.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.818 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.9 110.5 20.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.932 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.593 ' CD2' HG12 ' A' ' 99' ' ' ILE . 1.9 t60 -99.07 141.89 31.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.831 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -107.29 102.44 11.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.987 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.0 m -107.49 177.12 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.197 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 75' ' ' VAL . 32.3 t-20 -120.1 154.55 34.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.026 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 153' ' ' GLY . 1.9 p -119.82 108.78 24.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.092 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.3 ttp85 -160.31 158.47 29.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.064 0.459 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.35 148.12 19.55 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.544 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.459 HG23 ' O ' ' A' ' 91' ' ' TRP . 37.0 mt -141.79 145.21 24.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.868 0.366 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.55 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -123.03 171.91 15.8 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.42 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.409 HG21 ' HA ' ' A' ' 84' ' ' PRO . 26.8 m -139.8 164.39 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.783 0.325 . . . . 0.0 111.223 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.653 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 10.4 m-85 -149.81 154.31 37.26 Favored Pre-proline 0 C--O 1.234 0.28 0 CA-C-O 121.691 0.757 . . . . 0.0 110.696 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.1 Cg_endo -69.96 -20.16 11.11 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.552 -1.853 . . . . 0.0 112.389 0.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -163.38 160.33 18.09 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.461 0.648 . . . . 0.0 110.915 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.409 ' HA ' HG21 ' A' ' 80' ' ' VAL . 62.7 Cg_exo -48.15 -58.0 2.01 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.601 2.201 . . . . 0.0 112.404 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -43.78 -35.47 1.9 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.067 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -134.5 101.53 5.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.001 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 87.8 t -91.94 131.55 38.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.206 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -128.72 -33.28 2.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.978 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.6 t -136.04 119.3 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 70.0 mt -87.77 128.32 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.653 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 23.5 p-90 -145.24 144.9 31.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.938 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.82 167.15 11.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.88 152.41 17.21 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.621 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.3 t -103.61 144.62 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.701 0.286 . . . . 0.0 111.179 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.538 ' O ' ' C ' ' A' ' 96' ' ' ASN . 7.8 mm-40 -73.21 -175.97 2.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.784 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.538 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.4 p30 -25.79 105.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.996 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.33 52.83 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -57.51 -54.99 40.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.784 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.593 HG12 ' CD2' ' A' ' 71' ' ' HIS . 29.0 mm -64.48 -64.41 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.992 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 94.0 mt -38.07 -33.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.185 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -69.82 -54.84 11.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.103 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -46.16 -50.86 15.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.41 HG22 ' CD1' ' A' ' 107' ' ' ILE . 67.8 mt -60.74 -45.27 98.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.073 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.96 -35.79 75.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -75.86 -41.75 51.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -64.19 -45.59 87.68 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.766 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.41 ' CD1' HG22 ' A' ' 103' ' ' ILE . 62.4 mt -56.87 -33.38 41.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.217 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.435 ' C ' ' OD1' ' A' ' 108' ' ' ASP . 15.5 t0 -80.96 -57.22 3.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 108' ' ' ASP . 0.8 OUTLIER -36.36 -44.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.026 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -69.28 -55.54 10.21 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.862 HD21 HG13 ' A' ' 57' ' ' ILE . 27.4 mt -48.28 -37.27 15.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.073 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -46.79 -33.54 4.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -30.14 57.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.928 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.705 HD12 HD23 ' A' ' 111' ' ' LEU . 70.5 mt -75.26 -27.35 59.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 126.52 44.3 0.25 Allowed Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.413 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.566 ' CE1' HD22 ' A' ' 111' ' ' LEU . 60.5 m-85 -120.69 168.24 11.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.916 0.388 . . . . 0.0 110.875 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -80.68 156.1 26.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.487 ' HD3' ' N ' ' A' ' 119' ' ' GLU . 0.6 OUTLIER -100.6 125.36 46.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.647 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.487 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 39.6 mt-10 -99.39 93.97 6.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.736 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -50.99 -62.45 5.33 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.367 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -99.74 135.15 41.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.99 0.424 . . . . 0.0 110.817 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -92.01 153.09 19.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 84.5 t -139.31 129.85 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -115.6 95.65 5.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.077 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.417 ' CD2' ' C ' ' A' ' 125' ' ' HIS . 1.7 p-80 -138.54 167.61 21.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.732 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.581 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.3 mp -135.11 103.75 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.001 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 50.7 m -60.54 110.41 1.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.026 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 34' ' ' VAL . 47.0 mt -77.17 -42.12 38.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.061 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 179.49 -174.73 46.45 Favored Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.408 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -125.05 152.13 44.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.341 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.568 HG22 HG12 ' A' ' 31' ' ' ILE . 60.0 t -97.91 121.92 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.171 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -91.88 -59.11 2.2 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.406 ' CE2' ' HG2' ' A' ' 30' ' ' LYS . 24.8 p90 -150.38 135.43 17.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.015 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.418 HG21 HD21 ' A' ' 140' ' ' LEU . 2.3 p -138.6 150.78 23.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.366 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -110.03 -48.65 3.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -83.0 99.01 9.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 138' ' ' LEU . 36.5 mmtt -66.59 -61.23 2.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.801 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 137' ' ' LYS . 28.7 mt -35.5 -50.69 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.055 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -45.5 -49.92 10.97 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.813 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.418 HD21 HG21 ' A' ' 134' ' ' VAL . 23.5 mt -44.0 -58.59 2.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.702 0.287 . . . . 0.0 110.805 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 143' ' ' LYS . . . -67.05 -60.87 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.374 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 141' ' ' ALA . 5.6 mmt -38.21 -30.67 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 141' ' ' ALA . 1.3 ttmp? -79.29 -55.77 4.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.791 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 148' ' ' ALA . 73.8 mt -41.03 -51.64 3.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.058 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -51.88 -40.45 60.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.962 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -67.82 -46.82 70.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.776 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 6.7 mp -84.95 2.04 44.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 144' ' ' LEU . . . -70.92 -30.16 66.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 150' ' ' GLU . 73.1 m-20 -113.12 -27.08 8.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 149' ' ' ASN . 10.9 tp10 -37.18 107.04 0.05 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.21 158.46 35.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.753 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -121.45 -38.84 2.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . 0.561 ' O ' HG12 ' A' ' 75' ' ' VAL . . . 134.32 -169.69 22.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.486 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 25.4 p -134.18 164.86 26.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.977 0.418 . . . . 0.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -164.98 167.54 18.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.7 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 18.2 mt -112.51 123.31 68.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.841 HG22 HG21 ' A' ' 7' ' ' ILE . 64.2 t -83.41 97.44 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.066 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.637 ' HB3' HD12 ' A' ' 182' ' ' LEU . 10.5 mp0 -99.08 -68.81 0.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.133 0.492 . . . . 0.0 110.796 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.404 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -83.13 173.34 11.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.126 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . 0.411 HG22 ' N ' ' A' ' 161' ' ' GLU . 70.4 mt -129.7 152.49 37.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.411 ' N ' HG22 ' A' ' 160' ' ' ILE . 8.8 tt0 -126.93 134.83 50.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.451 HD23 ' HB3' ' A' ' 178' ' ' ALA . 18.5 tp -123.38 118.12 26.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.931 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -121.45 163.76 18.25 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.747 ' HE2' HD21 ' A' ' 177' ' ' LEU . 8.3 ptpt -109.91 174.31 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.776 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 30.0 t -147.8 117.64 7.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.779 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 89.6 m -129.9 98.35 4.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.148 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 13.3 mt -70.18 134.85 48.51 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.19 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 30.4 p -139.48 154.63 71.72 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.487 0.66 . . . . 0.0 111.245 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -47.78 -33.19 18.61 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.845 2.364 . . . . 0.0 112.361 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -80.07 -27.28 39.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.727 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 152.34 169.84 18.17 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . 0.452 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 54.5 Cg_endo -69.75 131.88 22.16 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.515 2.143 . . . . 0.0 112.506 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 28.0 mm -103.87 134.89 43.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -125.09 135.73 52.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.784 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -158.43 138.85 12.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.67 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.515 HG21 ' CG ' ' A' ' 179' ' ' ARG . 7.2 m -71.76 147.05 47.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.096 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.747 HD21 ' HE2' ' A' ' 164' ' ' LYS . 28.1 mt -117.68 -39.47 3.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.044 0.449 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.451 ' HB3' HD23 ' A' ' 162' ' ' LEU . . . -146.54 137.48 24.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.108 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' ARG . . . . . 0.515 ' CG ' HG21 ' A' ' 176' ' ' THR . 32.2 mtm180 -136.08 108.87 7.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.049 0.452 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.404 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 35.6 m-85 -109.59 99.84 8.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -99.46 135.24 41.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.764 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.637 HD12 ' HB3' ' A' ' 158' ' ' GLU . 83.7 mt -81.79 -64.5 1.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.963 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . 0.578 ' HB2' ' CE1' ' A' ' 185' ' ' HIS . 47.8 m -136.64 -178.46 5.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.966 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -118.93 45.0 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.783 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' HIS . . . . . 0.578 ' CE1' ' HB2' ' A' ' 183' ' ' SER . 18.6 p-80 -105.15 42.99 1.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -129.57 -38.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.038 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -65.09 119.45 10.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.707 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.8 150.38 42.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -94.69 124.27 38.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.756 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . 0.479 ' CD2' ' H ' ' A' ' 190' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.011 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptt? . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.634 0.254 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -82.96 74.25 9.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.961 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -78.5 147.56 33.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.234 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -161.13 138.56 9.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.933 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.772 HD11 ' HB3' ' A' ' 44' ' ' LYS . 21.4 pt -90.28 132.47 34.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.189 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.56 165.13 25.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.998 0.427 . . . . 0.0 110.96 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.828 HG21 HG22 ' A' ' 157' ' ' VAL . 84.5 mt -111.02 118.29 57.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.064 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -45.24 139.5 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.986 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.79 90.58 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.941 0.4 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -38.06 157.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.03 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 13' ' ' VAL . 44.1 mt-10 -47.9 -48.68 31.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.861 0.362 . . . . 0.0 110.804 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 11' ' ' GLU . 24.6 p -34.56 -34.84 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.906 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 11' ' ' GLU . 93.4 t -89.83 -58.43 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.462 ' O ' HG23 ' A' ' 18' ' ' VAL . 78.3 mtt180 -38.82 -58.73 1.04 Allowed 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -49.48 -46.05 47.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.735 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.06 -66.16 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.1 mt -49.03 -50.98 33.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.118 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 14' ' ' ARG . 95.5 t -59.94 -38.69 77.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.159 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' NH1' ' HB3' ' A' ' 19' ' ' ARG . 4.6 mtp-105 -57.84 -32.42 67.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.831 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.33 -47.88 25.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.105 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.702 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 52.3 mt-30 -50.13 -56.0 12.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -42.38 -37.99 1.73 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.669 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -75.79 -31.73 59.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.05 0.452 . . . . 0.0 111.06 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.467 HD11 ' CD2' ' A' ' 147' ' ' LEU . 83.6 mt -72.02 -52.19 26.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.029 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.48 169.07 0.13 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.594 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.2 p -125.07 50.91 1.71 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.875 0.369 . . . . 0.0 110.765 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.58 -62.46 1.64 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.751 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -79.31 -48.45 14.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.711 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.17 151.33 21.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.515 ' HG2' ' CZ ' ' A' ' 133' ' ' PHE . 9.5 tptm -105.96 87.54 2.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.803 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.79 HG12 HG22 ' A' ' 131' ' ' VAL . 21.7 mt -104.97 124.89 59.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.212 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -83.34 81.74 8.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.008 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.702 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 13.2 m-85 -58.48 172.3 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.599 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 62.1 t -109.39 147.63 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.278 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -50.74 176.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.084 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.56 ' HA ' ' CD2' ' A' ' 39' ' ' PHE . 40.6 mtt180 -84.34 -43.01 15.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.8 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -81.59 17.44 1.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.751 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -131.84 13.09 4.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.767 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.599 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 11.3 m-85 -85.65 5.69 30.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.845 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -52.98 149.94 6.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.796 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.1 mt -87.45 120.7 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.192 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.0 m -68.36 110.66 4.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.222 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 43' ' ' LEU . 4.4 tt -71.76 -46.28 58.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.772 ' HB3' HD11 ' A' ' 5' ' ' ILE . 6.2 tmtm? -162.4 114.45 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.079 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -70.76 132.67 45.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.82 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.634 HD23 ' HE3' ' A' ' 44' ' ' LYS . 16.1 mt -102.03 -61.2 1.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.03 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.43 -130.89 10.4 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.493 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -72.75 133.66 44.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.361 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.961 HD12 ' HB3' ' A' ' 3' ' ' ALA . 7.5 mt -152.37 144.59 15.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.9 p -95.08 147.13 23.75 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -50.81 -19.36 0.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.0 -33.37 39.37 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' GLU . 30.7 mm-40 -87.21 -34.19 19.07 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.02 -43.46 0.73 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -68.23 -40.67 81.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' GLN . 34.9 mm-40 -50.91 -38.38 49.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.808 HG13 HD21 ' A' ' 111' ' ' LEU . 2.6 mp -69.2 -53.76 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.065 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.602 ' HE3' ' HB2' ' A' ' 178' ' ' ALA . 41.1 mttp -47.61 -42.11 23.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -67.33 -64.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.697 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.6 mt -40.36 -45.55 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.113 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.8 mt -59.87 -45.89 91.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -48.47 -43.66 34.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.869 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -71.44 -44.94 63.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.017 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 66' ' ' LYS . 84.2 mt -66.22 -71.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -42.5 -23.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.013 0.435 . . . . 0.0 111.153 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 64' ' ' ILE . 18.1 ttpp -80.28 -50.73 9.81 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.765 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.588 ' HG3' ' CD1' ' A' ' 68' ' ' TYR . 5.5 ptpp? -60.69 -15.72 31.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.852 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.588 ' CD1' ' HG3' ' A' ' 67' ' ' LYS . 67.3 m-85 -104.91 173.11 6.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.172 0.51 . . . . 0.0 110.714 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -127.17 178.75 5.82 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 7.9 ptpt -90.18 113.43 25.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -96.3 152.98 18.08 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -99.44 100.33 11.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 31.1 m -108.9 172.8 2.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.132 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.46 ' CG ' ' N ' ' A' ' 75' ' ' VAL . 6.7 t-20 -122.84 167.19 13.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.001 0.429 . . . . 0.0 110.932 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.46 ' N ' ' CG ' ' A' ' 74' ' ' ASN . 2.3 p -129.81 115.0 32.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.231 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -166.16 146.69 6.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.977 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.02 133.29 7.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.677 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.478 HG23 ' O ' ' A' ' 91' ' ' TRP . 33.6 mt -126.64 141.4 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.907 0.384 . . . . 0.0 111.164 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -118.68 153.14 17.11 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.611 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.428 HG21 ' HA ' ' A' ' 84' ' ' PRO . 33.2 m -128.25 154.83 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.958 0.408 . . . . 0.0 111.227 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.535 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 12.5 m-85 -141.18 154.3 67.58 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.51 0.671 . . . . 0.0 111.075 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.3 Cg_endo -69.82 -23.62 9.02 Favored 'Cis proline' 0 C--N 1.34 0.121 0 C-N-CA 122.611 -1.829 . . . . 0.0 112.402 0.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.55 160.82 25.74 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.537 0.684 . . . . 0.0 110.947 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.428 ' HA ' HG21 ' A' ' 80' ' ' VAL . 59.0 Cg_exo -47.68 -63.59 0.31 Allowed 'Trans proline' 0 N--CA 1.464 -0.21 0 C-N-CA 122.664 2.243 . . . . 0.0 112.445 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -41.06 -35.97 0.63 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -130.24 90.14 2.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 1.029 HG21 HD11 ' A' ' 144' ' ' LEU . 76.7 t -85.83 131.2 35.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.153 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -127.07 -39.42 1.93 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.024 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.48 HG22 ' HB3' ' A' ' 130' ' ' ARG . 53.1 t -130.13 115.91 34.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 82.4 mt -90.09 125.35 42.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.157 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.504 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 37.3 p-90 -138.94 145.96 40.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.973 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.58 163.07 13.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.14 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.49 143.17 14.55 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.623 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 95.2 t -100.72 149.87 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.86 0.362 . . . . 0.0 111.179 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.544 ' O ' ' C ' ' A' ' 96' ' ' ASN . 18.4 mt-10 -71.28 -176.11 1.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.739 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.544 ' C ' ' O ' ' A' ' 95' ' ' GLU . 20.4 p-10 -26.12 115.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.089 0.471 . . . . 0.0 110.641 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 98' ' ' GLU . 12.2 m-20 -120.9 26.72 8.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.823 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 97' ' ' ASP . 7.2 mt-10 -36.71 -64.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.1 mm -55.11 -51.23 56.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.886 0.374 . . . . 0.0 111.085 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 80.9 mt -58.72 -23.12 22.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.014 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -79.65 -67.32 0.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.782 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -44.33 -30.71 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.8 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.489 HG22 HD12 ' A' ' 107' ' ' ILE . 57.6 mt -76.39 -38.78 33.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.65 -37.59 88.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -35.47 72.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -73.51 -38.95 65.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.489 HD12 HG22 ' A' ' 103' ' ' ILE . 64.5 mt -66.31 -37.83 80.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -85.04 -26.88 26.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.91 -40.59 96.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.946 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -73.23 -50.02 24.7 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.025 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 1.106 HD23 HD12 ' A' ' 114' ' ' LEU . 36.6 mt -55.48 -31.08 61.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -45.56 -25.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.047 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.36 -37.01 28.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.988 0.423 . . . . 0.0 110.818 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 1.106 HD12 HD23 ' A' ' 111' ' ' LEU . 82.4 mt -68.31 -25.3 65.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 128.3 50.76 0.14 Allowed Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.299 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -133.47 -175.65 3.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.0 0.429 . . . . 0.0 110.812 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -133.76 144.63 49.17 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.954 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -109.95 143.13 40.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.964 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -99.5 110.27 22.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -38.89 -55.67 2.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.416 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -99.52 117.54 34.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.626 0.25 . . . . 0.0 110.996 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -98.03 148.29 23.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.912 0.387 . . . . 0.0 111.04 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 56.5 t -142.05 113.15 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.09 112.82 16.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -147.78 165.68 29.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.611 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.1 mp -134.89 105.87 6.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.975 0.417 . . . . 0.0 111.108 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 67.4 m -62.46 104.98 0.56 Allowed 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 33.9 mt -73.12 -35.72 66.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.968 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 164.42 134.08 1.59 Allowed Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.489 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.48 ' HB3' HG22 ' A' ' 89' ' ' VAL . 10.3 ptt85 -93.75 141.38 28.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.684 0.278 . . . . 0.0 110.905 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.79 HG22 HG12 ' A' ' 31' ' ' ILE . 62.8 t -70.52 152.27 8.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -119.36 -48.51 2.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.515 ' CZ ' ' HG2' ' A' ' 30' ' ' LYS . 30.4 p90 -163.94 115.99 1.38 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.517 HG22 ' N ' ' A' ' 135' ' ' LYS . 2.9 p -123.18 158.16 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.517 ' N ' HG22 ' A' ' 134' ' ' VAL . 1.6 mptp? -105.7 -36.05 7.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.777 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -95.64 111.37 23.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -72.89 -61.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.423 ' C ' ' HG3' ' A' ' 142' ' ' MET . 21.1 mt -40.2 -57.77 1.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 138' ' ' LEU . . . -38.05 -36.0 0.31 Allowed Glycine 0 C--O 1.229 -0.171 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.546 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 67.6 mt -58.0 -47.43 83.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.8 0.333 . . . . 0.0 110.998 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 143' ' ' LYS . . . -83.11 -54.74 4.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.423 ' HG3' ' C ' ' A' ' 138' ' ' LEU . 2.5 mtt -40.12 -25.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.725 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 141' ' ' ALA . 19.2 ttmm -91.42 -58.08 2.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 1.029 HD11 HG21 ' A' ' 87' ' ' VAL . 51.4 mt -36.99 -43.46 0.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.746 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -55.42 -47.43 75.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.002 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 143' ' ' LYS . 5.4 mm-40 -61.32 -42.74 99.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.75 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.467 ' CD2' HD11 ' A' ' 24' ' ' ILE . 7.5 mp -98.01 33.74 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.951 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -96.93 -39.21 9.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.054 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 150' ' ' GLU . 3.1 m120 -109.11 -21.62 12.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 149' ' ' ASN . 8.4 tm-20 -38.14 123.43 1.12 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.802 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -79.21 156.67 28.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -120.39 -35.76 3.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.125 0.488 . . . . 0.0 110.718 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 133.07 -163.82 24.23 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.41 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.8 p -140.55 174.7 10.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.736 0.303 . . . . 0.0 111.033 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -174.3 165.16 4.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.758 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 75.6 mt -114.27 130.49 68.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.031 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.828 HG22 HG21 ' A' ' 7' ' ' ILE . 45.1 t -86.59 100.36 9.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.207 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -91.74 -69.03 0.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.016 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.911 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -97.1 -175.02 3.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 161' ' ' GLU . 60.4 mt -131.24 156.47 42.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.481 ' N ' HG22 ' A' ' 160' ' ' ILE . 5.2 tt0 -134.0 128.28 34.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.735 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 15.2 tp -110.82 121.43 45.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -114.22 162.02 17.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.462 ' HB2' ' CD1' ' A' ' 177' ' ' LEU . 13.0 ttpt -130.37 141.88 50.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.401 ' N ' ' HG2' ' A' ' 164' ' ' LYS . 4.2 t -115.89 132.12 56.74 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.76 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 44.2 m -130.64 98.27 4.6 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 15.2 mt -68.0 133.74 49.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 30.0 p -138.28 155.24 74.19 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.435 0.636 . . . . 0.0 111.29 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -47.95 -32.56 18.16 Favored 'Trans proline' 0 N--CA 1.467 -0.083 0 C-N-CA 122.766 2.31 . . . . 0.0 112.256 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -80.2 -28.12 38.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 153.36 171.4 20.55 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.626 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.86 128.52 16.05 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.718 2.279 . . . . 0.0 112.207 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 37.6 mm -105.91 136.76 38.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.157 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -125.6 136.51 53.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -159.41 152.08 21.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.072 0.463 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.493 HG21 ' HG3' ' A' ' 179' ' ' ARG . 15.2 m -82.78 144.23 30.3 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.407 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 164' ' ' LYS . 21.5 mt -109.49 -40.31 4.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.083 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.602 ' HB2' ' HE3' ' A' ' 58' ' ' LYS . . . -155.47 138.54 15.51 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' ARG . . . . . 0.493 ' HG3' HG21 ' A' ' 176' ' ' THR . 14.9 mtp-105 -130.7 111.55 12.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.778 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.911 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 47.0 m-85 -98.64 99.63 10.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . 0.449 ' HG2' ' CB ' ' A' ' 185' ' ' HIS . 11.2 tp10 -97.08 135.11 39.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 20.9 mt -101.03 -49.06 4.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 184' ' ' GLU . 1.6 t -143.75 -177.0 5.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.874 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 183' ' ' SER . 25.9 mt-10 36.76 49.58 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' HIS . . . . . 0.471 ' O ' ' CD2' ' A' ' 185' ' ' HIS . 0.4 OUTLIER -74.88 146.46 41.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.777 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -84.2 175.98 9.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.019 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -104.78 87.92 2.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.715 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 2.0 t60 38.94 45.59 0.99 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.841 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -49.07 124.01 8.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.819 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.938 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.405 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 120.914 0.388 . . . . 0.0 110.804 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 46.0 mtm-85 -94.79 90.16 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.743 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -90.89 146.74 23.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.455 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 17.5 p90 -159.28 138.3 11.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.694 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.71 HD11 ' HB3' ' A' ' 44' ' ' LYS . 19.0 pt -93.38 126.96 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.84 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -123.4 167.0 14.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.111 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.759 HG21 HG22 ' A' ' 157' ' ' VAL . 57.6 mt -110.45 129.53 65.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.256 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.31 131.87 38.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.611 HG23 ' HG3' ' A' ' 14' ' ' ARG . 10.7 m -106.74 87.51 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.137 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 9' ' ' VAL . 86.2 p -36.88 153.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.822 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.73 -33.71 1.97 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.021 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.8 p -49.62 -38.35 31.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.006 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.545 HG22 HG11 ' A' ' 75' ' ' VAL . 92.5 t -89.6 -51.14 12.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.195 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.611 ' HG3' HG23 ' A' ' 9' ' ' VAL . 67.1 mtt180 -44.48 -60.02 2.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.692 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -62.47 -34.99 77.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.32 -59.92 4.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.012 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.4 mt -58.12 -49.9 75.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 14' ' ' ARG . 99.5 t -53.89 -42.03 51.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.057 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -50.35 -43.78 54.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.768 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.43 ' HB1' HD21 ' A' ' 147' ' ' LEU . . . -66.32 -51.82 53.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.03 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.44 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 53.7 mt-30 -41.64 -62.07 0.96 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' GLN . 30.5 t0 -38.21 -41.48 0.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -73.93 -41.71 61.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.99 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.583 HG23 ' HD3' ' A' ' 143' ' ' LYS . 49.8 mt -55.97 -59.98 2.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.58 151.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.4 p -111.27 49.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.933 0.397 . . . . 0.0 110.898 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -71.79 -66.08 0.68 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.725 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 1.3 pm0 -82.01 -38.26 25.32 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.436 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -99.75 154.99 17.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.198 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.528 ' HG2' ' CE2' ' A' ' 133' ' ' PHE . 26.5 tptp -111.98 85.55 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.663 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.7 mt -107.62 126.21 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.103 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.85 95.44 10.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.921 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.44 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 19.1 m-85 -66.47 164.14 17.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.558 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 17.5 t -111.26 150.15 13.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.098 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -41.8 164.38 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.747 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -75.53 -44.62 42.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -79.6 12.38 2.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.795 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.437 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 1.9 m-80 -112.42 1.29 15.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.017 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.558 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 28.3 m-85 -88.12 9.26 23.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.494 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 2.1 p-80 -53.05 110.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.6 mt -40.64 120.73 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.247 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.7 m -75.73 103.09 5.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.074 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -64.82 -53.18 50.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.71 ' HB3' HD11 ' A' ' 5' ' ' ILE . 21.0 tttm -153.64 145.92 23.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.449 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 49.0 t80 -98.69 140.16 33.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.784 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.496 ' CB ' HD11 ' A' ' 49' ' ' ILE . 7.3 mt -112.52 -62.76 1.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.748 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 102.48 -138.39 13.9 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.555 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.21 132.25 48.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.9 0.381 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.743 HD12 ' HB3' ' A' ' 3' ' ' ALA . 24.0 mt -149.51 147.49 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 51' ' ' GLU . 41.5 p -89.73 131.93 35.45 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' THR . 22.4 tt0 -34.41 -39.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -69.73 -68.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.543 ' O ' HD12 ' A' ' 57' ' ' ILE . 30.8 mm-40 -39.08 -36.76 0.32 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.143 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.438 ' HA ' HD13 ' A' ' 57' ' ' ILE . . . -40.95 -61.05 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.025 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -46.74 -32.27 3.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.756 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.12 -47.4 80.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.79 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.711 ' H ' HD12 ' A' ' 57' ' ' ILE . 4.2 mp -63.46 -42.4 96.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.24 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.51 ' HE3' ' HB2' ' A' ' 178' ' ' ALA . 26.8 mtpt -58.03 -62.7 1.63 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.985 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.489 ' HG3' ' N ' ' A' ' 60' ' ' ILE . 4.2 ptpp? -43.65 -37.73 2.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.042 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.489 ' N ' ' HG3' ' A' ' 59' ' ' LYS . 84.9 mt -64.07 -49.48 81.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 53.5 mt -57.76 -42.93 85.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -46.36 -47.25 18.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.088 0.471 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -70.61 -60.38 2.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 84.8 mt -44.35 -64.66 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.237 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.56 -19.91 0.22 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -85.49 -51.02 6.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -18.0 43.78 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.564 ' CD2' HG12 ' A' ' 103' ' ' ILE . 47.1 m-85 -103.01 156.62 17.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.768 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -106.97 177.29 4.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -80.21 115.13 19.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.894 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.532 ' CG ' HG13 ' A' ' 99' ' ' ILE . 4.1 t-160 -95.69 143.16 27.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.042 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -105.83 103.4 12.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.903 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 34.9 m -114.86 179.64 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.108 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' A' ' 153' ' ' GLY . 0.6 OUTLIER -132.58 154.16 50.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.846 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.669 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.5 p -111.3 116.82 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.94 0.4 . . . . 0.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -165.78 148.53 7.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.79 124.1 2.87 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.391 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.454 HG23 ' O ' ' A' ' 91' ' ' TRP . 60.9 mt -120.82 130.38 74.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.92 0.391 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.94 169.04 14.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.537 -0.839 . . . . 0.0 112.517 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.432 HG21 ' HA ' ' A' ' 84' ' ' PRO . 27.7 m -138.04 159.44 33.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 120.982 0.42 . . . . 0.0 110.963 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.701 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 13.7 m-85 -143.63 154.22 59.29 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 121.657 0.741 . . . . 0.0 110.873 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.2 Cg_endo -69.65 -25.38 8.0 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.82 -1.742 . . . . 0.0 112.348 0.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 82' ' ' PRO . 1.5 m-80 -158.07 159.19 30.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 121.35 0.595 . . . . 0.0 111.096 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.432 ' HA ' HG21 ' A' ' 80' ' ' VAL . 65.1 Cg_exo -48.04 -61.77 0.54 Allowed 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.659 2.239 . . . . 0.0 112.388 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -46.15 -28.58 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.014 0.435 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -134.04 92.05 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.918 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 68.9 t -87.16 135.2 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.2 mmm-85 -133.5 -33.64 1.09 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.646 HG22 ' HG2' ' A' ' 130' ' ' ARG . 91.7 t -139.05 117.94 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 72.2 mt -86.97 131.67 34.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.273 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.701 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 37.9 p-90 -148.2 144.03 27.45 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.9 168.22 11.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -125.77 149.26 17.22 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.526 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 87.3 t -106.68 146.98 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.728 0.299 . . . . 0.0 111.207 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 96' ' ' ASN . 13.7 mt-10 -72.07 -176.89 1.88 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.066 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.7 t30 -34.04 105.67 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.841 0.353 . . . . 0.0 110.659 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.791 ' HB2' HD12 ' A' ' 100' ' ' ILE . 7.0 p-10 -121.75 47.24 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.682 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 101' ' ' LYS . 5.3 tp10 -49.06 -68.36 0.19 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.532 HG13 ' CG ' ' A' ' 71' ' ' HIS . 48.1 mm -39.74 -47.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.048 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.791 HD12 ' HB2' ' A' ' 97' ' ' ASP . 75.3 mt -63.34 -40.28 88.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.837 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.481 ' HG2' ' CD1' ' A' ' 122' ' ' PHE . 6.6 mtmp? -63.57 -59.07 5.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.027 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.44 ' CD ' ' HA ' ' A' ' 99' ' ' ILE . 8.3 ptpt -50.3 -38.58 42.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.564 HG12 ' CD2' ' A' ' 68' ' ' TYR . 66.0 mt -67.86 -53.96 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.106 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -48.15 -33.98 9.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.057 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -71.32 -44.22 65.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -62.27 -47.78 82.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 58.0 mt -56.14 -35.35 41.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -81.75 -32.97 31.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.904 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.74 -39.52 74.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.677 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -76.09 -42.8 46.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.012 0.434 . . . . 0.0 110.962 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.706 HD12 ' HE3' ' A' ' 44' ' ' LYS . 75.6 mt -62.31 -39.88 94.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.859 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -39.86 -35.15 0.32 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.054 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -70.28 -43.66 69.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.934 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.639 HD12 HD23 ' A' ' 111' ' ' LEU . 22.5 mt -64.69 -26.95 68.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.798 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 123.47 47.12 0.26 Allowed Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.41 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.511 ' CD2' ' HB3' ' A' ' 111' ' ' LEU . 66.2 m-85 -120.64 168.14 11.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.89 0.376 . . . . 0.0 110.981 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -107.25 151.98 24.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.06 137.32 42.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -100.15 123.91 44.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -48.53 -54.14 14.34 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -91.29 131.43 36.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.749 0.309 . . . . 0.0 111.007 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.667 ' HE1' ' HB2' ' A' ' 124' ' ' ALA . 9.8 t80 -99.82 145.34 27.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.406 ' N ' ' CD1' ' A' ' 122' ' ' PHE . 45.8 t -142.36 109.58 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.667 ' HB2' ' HE1' ' A' ' 122' ' ' PHE . . . -85.49 106.19 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.459 ' C ' HD12 ' A' ' 126' ' ' ILE . 29.5 p-80 -135.68 168.1 19.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.853 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.517 ' N ' HD12 ' A' ' 126' ' ' ILE . 4.1 mp -136.43 106.26 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.078 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 45.4 m -64.46 111.96 2.91 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' ' 34' ' ' VAL . 50.3 mt -78.99 -40.62 31.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.994 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 179.37 176.18 46.83 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.651 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.646 ' HG2' HG22 ' A' ' 89' ' ' VAL . 51.0 mtp180 -116.97 142.86 46.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 110.943 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 59.5 t -84.76 105.01 13.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.191 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 17.5 tttm -73.9 -57.26 4.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.003 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.528 ' CE2' ' HG2' ' A' ' 30' ' ' LYS . 12.3 p90 -155.62 131.47 9.91 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.6 p -134.29 147.27 30.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.142 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -109.4 -44.87 3.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -83.91 99.59 10.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -62.38 -59.62 4.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 80.5 mt -43.07 -48.84 6.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -43.31 -36.5 3.04 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.648 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.64 -63.45 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 111.016 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -61.2 -61.6 2.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.108 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 141' ' ' ALA . 6.6 mmt -36.28 -35.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.641 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.583 ' HD3' HG23 ' A' ' 24' ' ' ILE . 1.2 ttmp? -77.79 -56.28 4.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.944 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 143' ' ' LYS . 90.7 mt -37.14 -60.22 0.66 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.718 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -43.53 -49.6 7.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -58.57 -42.21 87.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.43 HD21 ' HB1' ' A' ' 20' ' ' ALA . 8.7 mp -101.11 39.89 1.35 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -105.52 -32.95 8.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.078 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 150' ' ' GLU . 32.1 m-80 -111.57 -23.48 10.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.811 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 149' ' ' ASN . 8.6 mt-10 -36.78 124.26 0.86 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.033 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -84.09 139.0 32.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.758 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.669 ' HB2' HG13 ' A' ' 75' ' ' VAL . 37.9 m-85 -103.81 -38.78 6.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . 0.402 ' O ' ' ND2' ' A' ' 74' ' ' ASN . . . 138.84 -164.72 25.74 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.627 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.8 m -140.88 167.04 23.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.846 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . 0.417 ' CE2' HG21 ' A' ' 13' ' ' VAL . 16.0 p90 -169.79 155.39 5.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.057 0.456 . . . . 0.0 110.803 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 54.0 mt -104.86 125.48 59.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.36 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.759 HG22 HG21 ' A' ' 7' ' ' ILE . 38.0 t -75.55 100.47 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.083 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -98.4 -67.9 0.83 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.802 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.686 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -96.33 171.14 8.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.037 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 161' ' ' GLU . 86.2 mt -126.39 151.79 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.221 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.401 ' N ' HG22 ' A' ' 160' ' ' ILE . 63.7 tt0 -126.88 145.22 50.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.519 HD23 ' HB3' ' A' ' 178' ' ' ALA . 12.8 tp -131.19 115.67 16.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -118.02 158.36 25.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.478 ' HB3' ' CD1' ' A' ' 177' ' ' LEU . 7.2 pttm -115.96 175.22 5.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.049 0.452 . . . . 0.0 110.744 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 30.9 m -144.58 127.71 16.62 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.802 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 28.6 m -134.29 99.61 4.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.043 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 16.2 mt -69.82 131.31 44.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.834 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 29.9 p -134.88 155.68 79.09 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.479 0.656 . . . . 0.0 111.439 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -47.78 -31.99 16.06 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.716 2.278 . . . . 0.0 112.399 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -80.43 -26.55 38.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 151.11 173.29 20.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.431 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.65 126.28 13.2 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.883 2.388 . . . . 0.0 112.268 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 14.9 mm -100.0 133.73 41.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.068 0.461 . . . . 0.0 111.079 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -128.32 132.33 48.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.744 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -158.58 146.25 18.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.409 HG21 ' HG2' ' A' ' 179' ' ' ARG . 24.7 m -75.02 148.27 40.0 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.212 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 164' ' ' LYS . 24.3 mt -115.86 -44.92 2.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.007 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.519 ' HB3' HD23 ' A' ' 162' ' ' LEU . . . -135.72 141.65 44.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' ARG . . . . . 0.409 ' HG2' HG21 ' A' ' 176' ' ' THR . 20.1 mmm-85 -135.85 109.04 7.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.939 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.686 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 20.5 m-85 -105.25 98.3 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.066 0.46 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -100.02 122.73 43.35 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 77.5 mt -72.27 -61.09 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 9.2 t -158.15 176.34 12.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.939 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -107.96 153.11 23.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.794 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -108.49 103.45 12.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.771 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -127.48 -47.44 1.44 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -38.62 -47.56 1.34 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.819 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . 0.549 ' CG ' ' CD2' ' A' ' 190' ' ' HIS . 2.6 t-160 -110.88 126.45 54.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 190' ' ' HIS . 2.4 t-160 -77.21 -48.02 18.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.062 0.458 . . . . 0.0 110.984 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . 0.549 ' CD2' ' CG ' ' A' ' 188' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.788 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 tpt . . . . . 0 N--CA 1.462 0.139 0 CA-C-O 120.721 0.296 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -71.51 67.41 0.52 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.772 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.526 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -68.34 149.21 49.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.162 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.659 ' O ' HD12 ' A' ' 162' ' ' LEU . 31.7 p90 -168.32 132.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.575 HG21 HD11 ' A' ' 61' ' ' LEU . 46.3 pt -87.95 137.98 20.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.985 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.619 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -131.72 163.98 26.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.18 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.519 HG21 HG22 ' A' ' 157' ' ' VAL . 82.8 mt -103.7 118.79 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.064 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -50.04 120.96 4.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.493 HG23 ' NE ' ' A' ' 14' ' ' ARG . 4.7 m -101.66 90.64 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 9' ' ' VAL . 11.6 t -33.93 148.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.792 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -43.85 -25.19 0.17 Allowed 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.82 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.5 p -51.46 -47.26 63.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.795 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.404 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 84.5 t -82.3 -43.17 19.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.493 ' NE ' HG23 ' A' ' 9' ' ' VAL . 22.9 mmt180 -41.5 -64.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.909 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -58.5 -43.9 89.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.737 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -44.64 -62.77 1.08 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.049 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt -55.11 -48.51 73.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.038 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.7 t -52.64 -42.46 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.939 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.0 ttm-85 -50.64 -49.5 56.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.708 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.17 -50.1 74.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.944 0.402 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.523 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 69.7 mt-30 -47.23 -56.17 7.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -42.9 -34.88 1.04 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.726 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -81.01 -40.49 24.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.8 mt -54.9 -57.17 7.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.935 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.43 165.07 1.85 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.459 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.3 p -132.02 42.08 3.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.854 0.359 . . . . 0.0 110.792 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -79.88 -50.7 10.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -86.39 -45.45 11.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.84 179.01 4.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.591 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 30.8 mmmt -132.59 86.82 2.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.572 HG12 HG22 ' A' ' 131' ' ' VAL . 37.3 mt -111.5 120.05 61.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.009 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.11 89.44 8.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.523 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 16.6 m-85 -56.05 175.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.004 0.43 . . . . 0.0 110.826 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.567 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 46.4 t -116.51 148.91 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.961 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -42.05 159.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.075 0.464 . . . . 0.0 110.727 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.484 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 50.3 mtp180 -70.2 -42.43 72.37 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -84.47 24.7 0.96 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.458 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 2.1 m-80 -128.57 11.93 6.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 27.0 m-85 -92.48 7.75 41.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.986 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.619 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 3.4 p-80 -54.84 122.37 10.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.487 HG12 ' CG1' ' A' ' 126' ' ' ILE . 44.7 mt -58.48 120.58 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.181 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 50.0 m -69.76 102.77 1.99 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.749 HD23 ' O ' ' A' ' 43' ' ' LEU . 3.6 tt -68.12 -37.47 81.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.416 ' HB3' HD11 ' A' ' 5' ' ' ILE . 8.0 tmtm? -167.39 133.1 2.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.852 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -90.08 136.71 32.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.826 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.697 ' HB3' HD11 ' A' ' 49' ' ' ILE . 20.1 mt -107.79 -63.79 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.92 -139.17 14.3 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.254 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.4 130.76 45.03 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.9 0.381 . . . . 0.0 110.811 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.697 HD11 ' HB3' ' A' ' 46' ' ' LEU . 46.0 mt -149.3 154.89 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.24 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.434 ' N ' HG22 ' A' ' 49' ' ' ILE . 21.0 p -95.76 145.71 25.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.101 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -46.92 -35.43 6.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -72.04 -38.05 69.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.763 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.611 ' O ' HD12 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -76.16 -30.48 58.13 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.768 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -40.22 -66.65 0.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.074 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -52.61 -29.02 23.74 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.408 ' CB ' ' O ' ' A' ' 53' ' ' GLN . 2.9 tt0 -60.04 -40.22 88.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.815 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 53' ' ' GLN . 3.8 mp -69.96 -44.93 78.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.042 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.453 ' HG2' ' CB ' ' A' ' 178' ' ' ALA . 0.8 OUTLIER -63.42 -58.45 7.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.116 179.638 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.491 ' HG3' ' N ' ' A' ' 60' ' ' ILE . 15.6 ptpt -44.75 -45.26 9.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.807 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.491 ' N ' ' HG3' ' A' ' 59' ' ' LYS . 77.7 mt -61.18 -50.41 80.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.575 HD11 HG21 ' A' ' 5' ' ' ILE . 44.4 mt -50.02 -48.05 52.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -49.15 -37.61 22.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.721 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -70.2 -53.0 18.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.877 0.37 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.565 HG23 ' CE1' ' A' ' 68' ' ' TYR . 90.1 mt -61.4 -67.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.202 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -43.2 -22.97 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.268 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 64' ' ' ILE . 19.2 tttp -86.08 -53.16 5.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.717 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -19.16 61.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.601 ' CD2' HG12 ' A' ' 103' ' ' ILE . 51.5 m-85 -100.0 159.67 14.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.18 177.43 4.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.981 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.449 ' HB2' ' CG2' ' A' ' 156' ' ' ILE . 8.9 ptpt -109.76 110.04 20.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.466 ' CD2' ' N ' ' A' ' 72' ' ' GLU . 40.7 t60 -97.41 162.0 13.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.466 ' N ' ' CD2' ' A' ' 71' ' ' HIS . 10.0 tt0 -97.18 100.32 11.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.713 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 23.4 m -101.18 158.48 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.232 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 153' ' ' GLY . 16.4 t-20 -113.44 165.79 12.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.143 0.497 . . . . 0.0 110.813 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.672 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.7 p -126.71 113.52 33.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.411 ' HD3' ' C ' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -160.91 152.9 19.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.82 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.18 140.87 9.15 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.527 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 91' ' ' TRP . 84.2 mt -136.4 150.8 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.932 0.396 . . . . 0.0 111.005 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -132.2 169.0 22.34 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.468 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.4 m -133.7 175.53 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.792 0.33 . . . . 0.0 111.115 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.57 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 11.4 m-85 -158.08 149.09 16.36 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 121.578 0.704 . . . . 0.0 110.934 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 53.5 Cg_endo -69.74 -28.38 6.29 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.891 -1.712 . . . . 0.0 112.361 -0.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -157.91 161.29 29.17 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 121.627 0.727 . . . . 0.0 110.999 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -48.11 -56.33 3.21 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.733 2.288 . . . . 0.0 112.169 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -40.31 -40.54 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.971 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -134.92 91.85 2.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.2 t -80.77 127.44 39.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.276 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -118.28 -40.16 2.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.792 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 87.9 t -135.93 126.38 42.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.489 ' CD1' HD13 ' A' ' 31' ' ' ILE . 79.5 mt -91.22 136.03 25.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.111 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.57 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 51.5 p-90 -146.74 139.98 25.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.829 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.39 163.14 13.71 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.16 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.44 145.2 15.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.426 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 95' ' ' GLU . 62.2 t -99.11 154.9 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-O 120.595 0.236 . . . . 0.0 111.304 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.497 ' O ' ' C ' ' A' ' 96' ' ' ASN . 8.3 mm-40 -75.67 -176.58 3.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.497 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -29.55 115.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.687 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.593 ' OD2' HD12 ' A' ' 100' ' ' ILE . 2.1 m-20 -125.14 28.97 6.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.785 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 97' ' ' ASP . 4.2 tp10 -35.83 -49.63 0.62 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.3 mm -60.5 -61.51 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.112 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.593 HD12 ' OD2' ' A' ' 97' ' ' ASP . 79.2 mt -56.46 -19.77 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.218 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -78.18 -58.65 3.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.79 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -59.33 -32.94 70.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.028 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.601 HG12 ' CD2' ' A' ' 68' ' ' TYR . 91.7 mt -67.26 -44.52 87.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.097 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.48 -38.47 69.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.174 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -63.49 -41.48 98.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -66.6 -43.92 83.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.701 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.428 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 63.6 mt -62.39 -37.48 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.233 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -82.66 -30.13 29.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.878 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -57.06 -41.35 78.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.814 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.95 -52.41 11.26 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.954 0.406 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.736 HD23 HD12 ' A' ' 114' ' ' LEU . 74.8 mt -51.16 -42.03 60.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -38.49 -38.71 0.4 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.988 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -68.86 -39.49 79.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.736 HD12 HD23 ' A' ' 111' ' ' LEU . 48.6 mt -64.52 -17.98 64.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.74 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 112.64 42.14 0.97 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.566 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -115.82 167.62 10.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.91 0.386 . . . . 0.0 110.811 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -89.53 160.45 16.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.703 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -127.58 124.1 37.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.991 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 23.8 mp0 -97.11 110.59 23.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.974 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.28 -54.1 36.45 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.4 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -93.57 112.53 24.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.647 0.26 . . . . 0.0 110.96 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -94.61 137.89 33.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.031 0.443 . . . . 0.0 110.831 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 44.8 t -137.32 109.62 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.172 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.92 103.14 5.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.201 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.513 ' C ' HD12 ' A' ' 126' ' ' ILE . 39.3 p-80 -136.44 168.88 18.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.596 ' N ' HD12 ' A' ' 126' ' ' ILE . 3.1 mp -139.85 106.44 2.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.136 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 89.0 m -61.69 106.74 0.71 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.037 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 29.3 mt -67.9 -41.42 82.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.696 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -179.19 -168.16 37.79 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.532 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 -132.89 138.28 46.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.939 0.4 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.572 HG22 HG12 ' A' ' 31' ' ' ILE . 56.5 t -83.2 126.09 40.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.243 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -90.48 -60.42 1.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.966 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.591 ' CE2' ' HG3' ' A' ' 30' ' ' LYS . 40.3 p90 -164.16 117.66 1.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 135' ' ' LYS . 3.1 p -114.5 154.67 15.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.213 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.446 ' N ' HG22 ' A' ' 134' ' ' VAL . 14.9 mmtp -101.29 -46.59 4.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.892 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -86.2 116.34 24.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.035 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 138' ' ' LEU . 0.0 OUTLIER -78.56 -60.44 2.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 137' ' ' LYS . 30.3 mt -34.86 -60.27 0.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.954 0.406 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -37.86 -46.53 1.72 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.511 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.402 HD21 HG11 ' A' ' 134' ' ' VAL . 35.6 mt -47.31 -61.54 1.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.704 0.287 . . . . 0.0 110.693 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.594 ' HA ' HD12 ' A' ' 144' ' ' LEU . . . -68.62 -59.93 2.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.187 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 141' ' ' ALA . 23.8 mmt -35.98 -42.46 0.28 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.807 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 146' ' ' GLU . 1.7 ttmp? -70.52 -48.73 54.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.823 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 141' ' ' ALA . 64.1 mt -36.98 -41.67 0.36 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -61.55 -46.99 87.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.988 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.508 ' N ' ' OE1' ' A' ' 146' ' ' GLU . 0.7 OUTLIER -56.55 -43.62 80.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.067 0.461 . . . . 0.0 110.947 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.41 ' HB3' HD12 ' A' ' 78' ' ' ILE . 5.4 mp -100.72 37.31 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -96.69 -40.17 9.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.06 -18.03 11.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -40.29 108.16 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.772 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -69.62 152.06 45.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.672 ' HB2' HG13 ' A' ' 75' ' ' VAL . 48.4 m-85 -114.61 -35.02 5.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.742 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . 0.433 ' O ' ' ND2' ' A' ' 74' ' ' ASN . . . 138.46 -163.55 25.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.365 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 44.8 t -146.13 172.43 13.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.758 0.313 . . . . 0.0 111.009 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -173.79 171.85 3.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.991 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.449 ' CG2' ' HB2' ' A' ' 70' ' ' LYS . 79.4 mt -116.7 126.67 74.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.187 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.519 HG22 HG21 ' A' ' 7' ' ' ILE . 99.3 t -76.23 98.79 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.063 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.508 ' HB3' HD12 ' A' ' 182' ' ' LEU . 9.5 mt-10 -97.43 -72.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.987 0.423 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.693 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -95.66 172.68 7.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.24 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 95.9 mt -126.35 147.79 31.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.242 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -127.22 124.23 38.45 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 4' ' ' PHE . 12.0 tp -110.51 133.96 52.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -127.02 164.49 21.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.027 0.441 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -129.83 132.91 46.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.778 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 6.5 t -110.69 130.11 55.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 90.8 m -134.93 101.76 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 21.2 mt -68.26 130.46 42.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 20.6 p -132.94 157.77 77.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.51 0.672 . . . . 0.0 111.136 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -47.65 -32.02 15.51 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.825 2.35 . . . . 0.0 112.354 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 171' ' ' GLY . 3.0 ptmm? -80.32 -31.36 38.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.14 0.495 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . 0.401 ' N ' ' HG3' ' A' ' 170' ' ' LYS . . . 156.61 176.41 28.66 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.357 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 123.93 10.55 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.8 2.334 . . . . 0.0 112.338 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 39.4 mm -97.54 136.29 28.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -132.29 115.47 15.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.678 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -139.57 144.07 37.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.783 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 11.8 m -75.96 145.32 40.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.149 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 26.0 mt -104.12 -46.95 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.015 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.453 ' CB ' ' HG2' ' A' ' 58' ' ' LYS . . . -153.29 148.75 27.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.041 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -135.45 105.44 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.693 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 10.9 m-85 -90.87 98.07 11.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.835 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -100.26 123.98 45.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.661 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.508 HD12 ' HB3' ' A' ' 158' ' ' GLU . 49.9 mt -70.96 -48.63 52.28 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.806 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 20.2 p -75.86 146.6 39.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.91 0.386 . . . . 0.0 110.778 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -84.95 168.67 14.76 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.97 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -43.78 -57.86 3.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.795 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -60.24 111.91 1.72 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.899 0.38 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -145.65 160.9 41.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.947 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -77.45 159.23 29.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.963 0.411 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.523 ' O ' ' CG ' ' A' ' 189' ' ' HIS . 78.8 t60 62.9 41.85 8.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 189' ' ' HIS . 37.3 m-70 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.791 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.648 0.261 . . . . 0.0 110.759 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -97.18 101.41 12.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.935 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -98.21 135.22 40.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.588 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 16.0 p90 -146.86 129.35 15.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.707 HD11 ' HB3' ' A' ' 44' ' ' LYS . 13.0 pt -93.99 119.55 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.346 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.652 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -116.9 170.5 8.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.266 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.84 HG21 HG22 ' A' ' 157' ' ' VAL . 43.2 mt -102.88 131.4 51.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.036 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -58.29 131.31 50.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.814 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 9' ' ' VAL . 34.2 m -108.82 90.55 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 11' ' ' GLU . 23.5 m -39.42 145.5 0.12 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.834 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 10' ' ' SER . 13.9 pt-20 -33.09 -41.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' GLU . 22.7 t -37.37 -58.31 0.85 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.978 0.418 . . . . 0.0 110.782 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.4 t -70.64 -46.36 69.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.422 ' O ' HG23 ' A' ' 18' ' ' VAL . 17.8 mmt180 -43.6 -60.91 1.56 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -62.32 -36.56 82.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.837 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.0 -52.61 63.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.982 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.7 mt -64.16 -55.11 24.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.957 0.408 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.916 HG21 ' HD3' ' A' ' 36' ' ' ARG . 90.8 t -50.64 -37.78 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.079 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -50.43 -45.75 56.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.969 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.91 -51.47 47.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.064 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -41.94 -60.09 1.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.817 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -39.83 -45.19 1.75 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -66.71 -44.51 81.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.769 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.6 mt -55.72 -60.08 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.94 163.39 0.13 Allowed Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.68 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.0 p -117.44 46.53 1.69 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.974 0.416 . . . . 0.0 110.94 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 tttm -68.52 -61.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 28' ' ' GLU . 1.9 pm0 -90.66 -38.26 13.21 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.929 0.395 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.409 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -99.93 146.39 26.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.529 ' HG2' ' CE2' ' A' ' 133' ' ' PHE . 11.6 tptm -103.09 91.62 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.92 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.531 HG12 HG22 ' A' ' 131' ' ' VAL . 25.8 mt -111.05 129.08 66.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -96.6 85.29 3.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.948 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -58.11 179.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.784 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.407 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 20.2 t -122.42 151.06 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -43.46 165.83 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.916 ' HD3' HG21 ' A' ' 18' ' ' VAL . 10.4 mtm105 -76.84 -41.45 44.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -79.49 11.93 2.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.813 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.531 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 1.8 m-80 -116.27 2.71 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.454 ' CD2' ' HA ' ' A' ' 36' ' ' ARG . 20.0 m-85 -83.55 5.23 24.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.531 ' CE1' ' HA ' ' A' ' 38' ' ' ASN . 3.5 p-80 -50.18 118.99 3.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.765 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.652 ' O ' ' HB1' ' A' ' 6' ' ' ALA . 45.7 mt -56.57 125.15 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.266 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.1 m -76.74 115.24 16.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.972 0.415 . . . . 0.0 111.157 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -84.3 -59.67 2.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.707 ' HB3' HD11 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -131.73 127.53 37.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.828 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -100.55 121.54 41.76 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.734 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.681 ' HB2' HD11 ' A' ' 49' ' ' ILE . 7.3 mt -101.24 -63.37 1.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.132 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 100.92 -127.37 9.23 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.44 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -62.81 122.72 16.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.068 0.461 . . . . 0.0 110.764 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.935 HD12 ' HB3' ' A' ' 3' ' ' ALA . 50.3 mt -145.68 147.44 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.2 p -89.09 142.79 27.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.991 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -46.25 -28.16 1.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.691 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -75.15 -70.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.793 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.498 ' O ' HD12 ' A' ' 57' ' ' ILE . 65.1 mt-30 -44.45 -28.32 0.55 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.047 0.451 . . . . 0.0 111.099 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 56' ' ' GLU . . . -48.09 -67.35 0.28 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.025 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -43.27 -24.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.752 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 54' ' ' ALA . 5.0 tp10 -69.21 -63.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.813 ' H ' HD12 ' A' ' 57' ' ' ILE . 3.9 mp -36.88 -40.61 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.307 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.489 ' HE2' HD23 ' A' ' 162' ' ' LEU . 0.0 OUTLIER -56.66 -61.98 2.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.106 179.747 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -45.48 -56.62 4.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 76.6 mt -45.75 -52.88 2.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.05 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.597 HD21 HD13 ' A' ' 5' ' ' ILE . 20.4 mt -57.15 -58.1 9.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 61' ' ' LEU . 4.1 tp10 -36.55 -30.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.979 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 61' ' ' LEU . 75.0 mttt -85.57 -58.88 2.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.409 ' HA ' ' CD ' ' A' ' 67' ' ' LYS . 77.9 mt -50.47 -50.33 21.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.73 -10.87 2.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.051 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.418 ' HD3' ' C ' ' A' ' 66' ' ' LYS . 1.3 tmtp? -104.47 -41.57 5.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.409 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 4.3 ptmt -65.65 -18.54 65.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.487 ' CG ' HG12 ' A' ' 103' ' ' ILE . 45.3 m-85 -103.67 158.31 16.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -95.55 -175.95 3.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.78 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.478 ' HB3' ' CG2' ' A' ' 156' ' ' ILE . 0.3 OUTLIER -113.12 101.68 9.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.937 0.398 . . . . 0.0 110.869 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.465 ' CB ' HG13 ' A' ' 99' ' ' ILE . 21.4 t60 -98.76 143.99 28.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.77 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -86.83 110.92 20.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.5 m -104.75 173.28 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.203 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.421 ' O ' HG13 ' A' ' 94' ' ' VAL . 8.2 t30 -124.32 159.98 29.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.987 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 p -127.06 103.93 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.289 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 6.4 ttt180 -150.85 143.2 24.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.768 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.437 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 103.03 145.62 15.75 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.727 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 88.9 mt -138.14 134.8 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.816 0.341 . . . . 0.0 111.187 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.572 ' HA3' ' CZ2' ' A' ' 91' ' ' TRP . . . -111.33 158.17 14.51 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.676 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.9 m -127.4 164.89 27.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.814 0.34 . . . . 0.0 111.189 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.61 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 11.5 m-85 -151.95 149.26 23.11 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.462 0.649 . . . . 0.0 110.968 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 53.8 Cg_endo -69.78 -30.29 5.23 Favored 'Cis proline' 0 C--O 1.229 0.064 0 C-N-CA 122.591 -1.837 . . . . 0.0 112.297 0.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.78 161.51 29.24 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.693 0.759 . . . . 0.0 110.819 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -48.16 -65.11 0.18 Allowed 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.636 2.224 . . . . 0.0 112.462 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -42.35 -30.14 0.31 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -133.81 92.03 2.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.082 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 80.4 t -86.92 131.14 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -123.67 -42.31 2.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.799 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.404 HG22 ' HG2' ' A' ' 130' ' ' ARG . 91.2 t -133.92 122.69 42.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.928 0.394 . . . . 0.0 111.169 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 73.8 mt -87.14 123.25 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.195 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.61 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 58.3 p-90 -137.47 136.26 37.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.05 161.47 15.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.87 151.41 17.07 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.555 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 74' ' ' ASN . 88.5 t -104.92 149.92 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.891 0.376 . . . . 0.0 111.234 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.514 ' O ' ' C ' ' A' ' 96' ' ' ASN . 12.5 mm-40 -71.06 -176.06 1.31 Allowed 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.514 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.6 OUTLIER -28.86 115.37 0.09 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.814 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 95' ' ' GLU . 63.4 m-20 -129.35 29.76 5.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.766 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -40.77 -50.63 3.14 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.813 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.465 HG13 ' CB ' ' A' ' 71' ' ' HIS . 39.6 mm -54.27 -53.72 27.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.056 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.1 mt -60.77 -26.78 39.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.074 0.464 . . . . 0.0 111.227 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.401 ' HG2' ' CD1' ' A' ' 122' ' ' PHE . 30.1 mtmt -71.68 -58.6 3.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.835 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.473 ' HE3' ' CD1' ' A' ' 68' ' ' TYR . 10.2 pttt -53.72 -38.34 64.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.848 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.487 HG12 ' CG ' ' A' ' 68' ' ' TYR . 95.2 mt -67.23 -42.91 88.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.086 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.516 ' HA ' HD12 ' A' ' 107' ' ' ILE . . . -57.84 -36.86 72.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.093 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.1 tttp -65.82 -46.3 79.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.764 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -60.42 -47.25 86.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.759 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 104' ' ' ALA . 55.3 mt -51.2 -40.41 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 109' ' ' ASP . 4.4 t0 -77.84 -53.84 7.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.908 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 108' ' ' ASP . 7.0 t70 -34.78 -51.27 0.49 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.94 -47.96 70.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.663 HD23 HD12 ' A' ' 114' ' ' LEU . 51.3 mt -52.01 -44.86 64.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 111' ' ' LEU . . . -34.68 -38.66 0.08 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.887 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -65.84 -46.75 77.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.938 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.663 HD12 HD23 ' A' ' 111' ' ' LEU . 33.3 mt -65.2 -26.78 68.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.04 0.447 . . . . 0.0 110.933 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 121.47 66.38 0.25 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.631 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.558 ' CD2' ' HB3' ' A' ' 111' ' ' LEU . 96.7 m-85 -141.07 152.79 45.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.995 0.426 . . . . 0.0 110.753 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -76.52 159.35 30.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.781 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.404 ' HE2' ' HB2' ' A' ' 112' ' ' ALA . 16.0 mttm -109.18 109.6 20.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.862 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -100.07 83.6 2.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.945 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.92 -48.34 57.87 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.447 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -70.76 101.99 2.22 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.676 0.274 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.534 ' HE1' ' HB2' ' A' ' 124' ' ' ALA . 2.7 t80 -99.23 133.86 42.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 20.6 t -137.03 106.38 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.186 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.534 ' HB2' ' HE1' ' A' ' 122' ' ' PHE . . . -76.34 104.22 6.75 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -140.1 168.97 18.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.554 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.6 mp -139.78 105.78 2.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.025 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 91.3 m -64.3 106.72 1.16 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.032 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 72.0 mt -69.92 -39.59 76.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.052 0.453 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -178.6 -162.09 27.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.404 ' HG2' HG22 ' A' ' 89' ' ' VAL . 33.6 mtm180 -141.44 144.32 34.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.919 0.39 . . . . 0.0 110.874 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.531 HG22 HG12 ' A' ' 31' ' ' ILE . 61.6 t -90.18 115.02 28.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.206 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -82.69 -55.96 4.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.786 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.529 ' CE2' ' HG2' ' A' ' 30' ' ' LYS . 35.5 p90 -157.03 122.75 4.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.5 p -124.32 150.01 28.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -105.75 -43.44 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.04 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -84.69 107.0 16.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.044 0.449 . . . . 0.0 111.066 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -74.76 -64.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.829 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 37.6 mt -39.47 -48.4 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.959 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -42.99 -46.65 6.23 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.392 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 20.9 mt -50.18 -63.23 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 111.004 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.26 -52.38 65.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.215 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.4 mmt -51.56 -29.0 15.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -81.88 -54.46 5.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.014 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 57.7 mt -39.1 -58.56 1.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -38.47 -54.81 1.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.817 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -55.42 -42.71 74.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.851 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.9 mp -101.44 34.43 2.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -94.8 -35.9 11.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.217 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 150' ' ' GLU . 0.7 OUTLIER -116.43 -13.37 10.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.909 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 149' ' ' ASN . 2.8 tt0 -35.96 113.33 0.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -72.72 143.62 47.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.811 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -111.02 -37.35 5.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 138.06 -161.1 25.53 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.563 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 62.8 m -141.41 171.05 14.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.948 0.404 . . . . 0.0 111.001 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -172.52 162.86 5.33 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.478 ' CG2' ' HB3' ' A' ' 70' ' ' LYS . 85.2 mt -109.58 127.22 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.189 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.84 HG22 HG21 ' A' ' 7' ' ' ILE . 66.8 t -78.91 89.96 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.996 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.428 ' HA ' ' CG ' ' A' ' 70' ' ' LYS . 3.4 mt-10 -98.56 -67.19 0.86 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.966 0.412 . . . . 0.0 110.778 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.775 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -88.2 169.99 11.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 89.4 mt -134.58 142.84 39.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -121.86 131.12 53.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.007 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.51 ' HB2' HG22 ' A' ' 5' ' ' ILE . 17.6 tp -112.29 128.65 56.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.083 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 8.0 tttm -129.3 146.98 51.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.926 0.393 . . . . 0.0 110.983 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -107.14 168.47 9.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.764 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 14.4 m -145.29 126.82 15.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 90.3 m -134.96 100.73 4.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.201 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 32.3 mt -72.02 132.74 44.68 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 66.7 p -136.63 155.98 76.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.632 0.73 . . . . 0.0 111.163 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -48.09 -31.54 16.59 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.795 2.33 . . . . 0.0 112.2 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -27.87 37.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.053 0.454 . . . . 0.0 110.834 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 152.94 171.12 20.0 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.475 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . 0.453 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 55.6 Cg_endo -69.73 130.95 20.27 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.736 2.291 . . . . 0.0 112.518 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 46.6 mm -101.6 127.58 54.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -125.75 126.39 44.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 176' ' ' THR . 5.7 tp10 -156.29 149.01 23.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.854 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.426 ' N ' ' HG3' ' A' ' 175' ' ' GLU . 5.3 m -82.63 150.89 26.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.127 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 36.4 mt -117.61 -39.25 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -150.69 130.75 13.46 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.218 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -125.96 110.34 13.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.031 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.775 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 22.1 m-85 -101.28 99.05 9.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -96.86 131.41 43.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 183' ' ' SER . 63.1 mt -110.79 -47.06 3.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.76 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 182' ' ' LEU . 8.2 t -36.68 149.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.94 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -79.88 110.91 15.69 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -37.69 -44.47 0.71 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.03 0.443 . . . . 0.0 110.883 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -55.03 -56.91 14.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -41.74 127.95 3.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.815 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -154.47 158.08 39.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.427 ' CE1' ' OE2' ' A' ' 11' ' ' GLU . 9.2 p-80 -90.23 175.39 7.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.842 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 38.8 m80 . . . . . 0 C--O 1.234 0.25 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.827 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.427 ' CE ' ' HB2' ' A' ' 54' ' ' ALA . 6.9 ptt? . . . . . 0 N--CA 1.454 -0.233 0 CA-C-O 121.031 0.443 . . . . 0.0 110.746 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -85.36 87.04 7.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.762 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.796 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -86.69 146.23 26.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.143 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.559 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 6.4 p90 -167.39 135.98 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.796 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.613 HD11 ' HB3' ' A' ' 44' ' ' LYS . 42.3 pt -88.94 139.89 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.07 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -137.3 173.01 12.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.048 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.674 HD11 HD12 ' A' ' 43' ' ' LEU . 66.3 mt -115.49 122.05 68.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.168 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -50.35 136.0 20.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.79 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.454 HG23 ' HG3' ' A' ' 14' ' ' ARG . 4.1 m -115.97 86.62 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.159 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -42.91 165.44 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -46.09 -42.04 13.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.74 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.2 p -41.01 -35.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.792 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.593 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 41.9 t -97.38 -58.34 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.118 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.454 ' HG3' HG23 ' A' ' 9' ' ' VAL . 40.6 mtt180 -38.54 -69.66 0.12 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.824 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -50.07 -35.52 25.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.849 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -57.85 -62.96 1.43 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.826 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.517 HD23 ' CE1' ' A' ' 152' ' ' PHE . 93.6 mt -57.01 -43.07 81.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.745 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.416 HG21 ' CZ ' ' A' ' 36' ' ' ARG . 93.4 t -62.7 -34.38 65.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.2 tpt85 -58.2 -48.86 79.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.767 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.55 -52.93 63.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.167 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.513 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 51.8 mt-30 -44.53 -53.14 7.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -45.73 -43.29 12.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.714 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -70.74 -28.16 64.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.95 0.405 . . . . 0.0 110.979 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.4 mt -70.19 -60.3 2.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.228 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.6 151.97 0.41 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.386 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.3 p -117.58 52.58 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.96 0.41 . . . . 0.0 110.937 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -92.96 -54.6 3.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.471 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -86.42 -38.5 17.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.471 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -100.15 171.98 7.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.5 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 2.4 tmtm? -125.89 94.74 4.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.47 HG12 HG22 ' A' ' 131' ' ' VAL . 21.6 mt -122.38 134.1 66.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -101.31 82.93 2.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.513 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 19.8 m-85 -56.79 166.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.462 HG12 ' CB ' ' A' ' 38' ' ' ASN . 25.0 t -105.27 145.91 12.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.28 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -38.59 155.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.957 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 5.5 ttt85 -65.66 -42.15 91.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.71 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -81.33 15.71 1.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.99 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.462 ' CB ' HG12 ' A' ' 34' ' ' VAL . 1.7 m-80 -120.05 11.39 11.68 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' A' ' 36' ' ' ARG . 22.7 m-85 -89.94 7.78 35.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.66 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -55.21 128.69 35.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.957 0.408 . . . . 0.0 110.778 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.3 mt -63.83 117.31 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.06 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 44.7 m -74.69 104.13 5.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.205 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.674 HD12 HD11 ' A' ' 7' ' ' ILE . 5.2 tt -75.64 -53.41 8.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.613 ' HB3' HD11 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -138.73 124.17 19.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.048 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -93.55 133.81 36.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.524 ' CB ' HD11 ' A' ' 49' ' ' ILE . 8.6 mt -114.77 -67.34 1.0 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.38 -129.68 9.98 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.432 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -64.58 129.0 38.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 110.981 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.796 HD12 ' HB3' ' A' ' 3' ' ' ALA . 14.7 mt -150.32 153.64 10.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 52' ' ' GLU . 44.6 p -104.6 133.11 50.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' THR . 28.0 tt0 -37.12 -28.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.764 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 50' ' ' THR . 19.8 mt-10 -71.27 -48.67 49.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.982 0.42 . . . . 0.0 111.111 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' THR . 66.5 mm-40 -74.26 -35.46 63.78 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.074 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.427 ' HB2' ' CE ' ' A' ' 1' ' ' MET . . . -47.88 -55.66 9.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -55.06 -15.68 2.31 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -77.9 -53.05 7.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.665 HG13 HD21 ' A' ' 111' ' ' LEU . 1.7 mp -42.34 -54.0 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.186 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.591 ' HE2' ' HB2' ' A' ' 178' ' ' ALA . 68.4 mttt -36.33 -70.55 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 58' ' ' LYS . 44.1 mttm -33.94 -67.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.981 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 85.8 mt -40.42 -53.72 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.222 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.4 mt -54.05 -50.8 65.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.787 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -56.86 -28.51 61.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.737 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -85.67 -19.63 30.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.8 mt -92.26 -62.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.52 -17.02 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.152 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -30.12 19.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.02 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -84.9 -11.84 54.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -110.96 158.12 19.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -103.18 -178.24 3.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.46 ' HB2' ' CG2' ' A' ' 156' ' ' ILE . 0.0 OUTLIER -111.04 109.91 20.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.961 179.764 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.452 ' CD2' ' H ' ' A' ' 72' ' ' GLU . 3.2 t-160 -95.16 172.76 7.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.753 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.452 ' H ' ' CD2' ' A' ' 71' ' ' HIS . 12.4 tt0 -109.41 95.41 5.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.9 m -106.28 160.77 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.013 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.493 ' ND2' ' CB ' ' A' ' 95' ' ' GLU . 6.2 p30 -118.47 160.27 22.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.633 HG13 ' HB2' ' A' ' 152' ' ' PHE . 1.6 p -113.5 94.32 3.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.015 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -138.49 138.87 38.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.15 131.94 6.83 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.344 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.509 HD12 ' HB3' ' A' ' 147' ' ' LEU . 62.3 mt -126.57 145.46 34.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.952 0.406 . . . . 0.0 111.08 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.19 173.51 15.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.416 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.425 HG21 ' HA ' ' A' ' 84' ' ' PRO . 32.7 m -139.05 171.7 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.882 0.373 . . . . 0.0 111.18 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.637 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 10.1 m-85 -157.79 149.54 17.14 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.608 0.718 . . . . 0.0 111.047 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.4 Cg_endo -69.88 -22.27 9.84 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.733 -1.778 . . . . 0.0 112.469 0.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 86' ' ' TYR . 0.5 OUTLIER -162.93 162.52 18.26 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.738 0.78 . . . . 0.0 110.83 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.425 ' HA ' HG21 ' A' ' 80' ' ' VAL . 67.2 Cg_exo -47.77 -63.73 0.29 Allowed 'Trans proline' 0 CA--C 1.527 0.128 0 C-N-CA 122.796 2.331 . . . . 0.0 112.276 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 84' ' ' PRO . 11.6 m-20 -37.8 -38.29 0.28 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 83' ' ' ASN . 4.1 t80 -131.89 100.72 5.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.3 t -93.71 130.15 43.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -126.43 -31.33 2.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.694 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 79.6 t -138.2 121.0 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 84.6 mt -91.56 118.52 37.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.131 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.637 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 28.9 p-90 -129.95 135.44 48.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.986 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -89.19 156.43 18.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.963 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.04 154.42 17.69 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.314 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 74' ' ' ASN . 84.4 t -107.25 147.3 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.619 0.247 . . . . 0.0 111.225 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' A' ' 96' ' ' ASN . 17.3 mm-40 -70.65 -176.25 1.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.751 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.528 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.9 p30 -25.31 108.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.037 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.699 ' HB2' HD12 ' A' ' 100' ' ' ILE . 2.6 p30 -128.68 37.05 4.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 101' ' ' LYS . 9.0 tt0 -37.19 -71.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 98' ' ' GLU . 10.1 mm -35.24 -55.29 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.04 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.699 HD12 ' HB2' ' A' ' 97' ' ' ASP . 62.1 mt -55.53 -39.31 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.188 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 98' ' ' GLU . 6.6 mtmp? -67.52 -64.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.423 ' CE ' HD13 ' A' ' 99' ' ' ILE . 14.2 ptpt -47.0 -28.07 1.51 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.959 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.431 HD12 HG22 ' A' ' 99' ' ' ILE . 94.9 mt -80.89 -46.35 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.09 0.471 . . . . 0.0 111.376 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.31 -39.5 64.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.032 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 106' ' ' GLU . 5.3 ptmm? -73.05 -34.2 66.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.825 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' ' 105' ' ' LYS . 29.1 tp10 -68.76 -44.1 74.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.649 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.9 mt -63.84 -30.88 51.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.077 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.41 ' CG ' ' HA ' ' A' ' 118' ' ' LYS . 4.8 t0 -77.16 -39.31 49.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.013 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -57.04 -35.24 69.06 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -83.05 -50.08 8.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.815 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.834 HD23 HD12 ' A' ' 114' ' ' LEU . 74.7 mt -56.65 -41.42 77.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.44 -40.84 1.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.038 0.446 . . . . 0.0 111.131 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -65.5 -38.32 89.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.71 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.834 HD12 HD23 ' A' ' 111' ' ' LEU . 76.8 mt -65.57 -27.26 68.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 122.36 48.76 0.26 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.396 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -130.67 148.87 52.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.944 0.402 . . . . 0.0 110.772 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -67.08 157.11 34.37 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.828 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.41 ' HA ' ' CG ' ' A' ' 108' ' ' ASP . 1.4 ttmp? -121.38 127.5 51.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -100.0 116.08 31.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.776 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -46.61 -72.91 0.34 Allowed Glycine 0 C--O 1.228 -0.224 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.387 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.51 127.22 44.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.662 0.268 . . . . 0.0 110.996 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -97.27 151.6 19.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 57.4 t -140.46 117.12 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.977 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.6 106.49 9.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.97 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.547 ' C ' HD12 ' A' ' 126' ' ' ILE . 3.0 p-80 -143.67 168.05 20.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.015 0.436 . . . . 0.0 110.758 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.578 ' N ' HD12 ' A' ' 126' ' ' ILE . 3.3 mp -141.12 106.36 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 83.4 m -62.79 112.56 2.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 86.8 mt -72.66 -38.65 67.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.785 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 177.46 -166.84 37.53 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.555 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -129.37 139.08 51.82 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.747 0.308 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.47 HG22 HG12 ' A' ' 31' ' ' ILE . 62.3 t -90.74 111.86 24.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.019 0.438 . . . . 0.0 111.072 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -84.03 -55.67 4.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.01 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.54 ' C ' ' CD1' ' A' ' 133' ' ' PHE . 2.2 p90 -154.19 138.72 16.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.947 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.457 HG21 HD21 ' A' ' 140' ' ' LEU . 2.1 p -133.77 153.14 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.132 0.491 . . . . 0.0 111.019 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -109.01 -49.45 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.819 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -82.86 115.26 21.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -60.48 2.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.418 HD22 ' CE ' ' A' ' 142' ' ' MET . 38.0 mt -42.34 -53.85 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -38.28 -43.75 1.51 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.526 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.457 HD21 HG21 ' A' ' 134' ' ' VAL . 22.3 mt -59.4 -63.28 1.36 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.901 0.381 . . . . 0.0 110.815 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -60.66 -58.37 8.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.012 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.418 ' CE ' HD22 ' A' ' 138' ' ' LEU . 8.9 mmt -37.31 -44.66 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.083 0.468 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 146' ' ' GLU . 11.4 mttp -72.32 -62.46 1.43 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.756 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 42.4 mt -40.58 -42.45 1.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.057 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.41 ' HD3' ' C ' ' A' ' 145' ' ' LYS . 11.4 tmtt? -61.04 -39.49 90.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 143' ' ' LYS . 80.3 mm-40 -76.87 -53.23 8.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.975 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.509 ' HB3' HD12 ' A' ' 78' ' ' ILE . 3.1 mp -71.17 -6.26 38.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 144' ' ' LEU . . . -65.23 -33.92 77.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 150' ' ' GLU . 14.0 m120 -115.72 -23.2 8.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.929 0.395 . . . . 0.0 110.771 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 149' ' ' ASN . 6.1 tt0 -38.39 107.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.025 0.441 . . . . 0.0 110.808 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -65.92 145.69 55.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.633 ' HB2' HG13 ' A' ' 75' ' ' VAL . 64.1 m-85 -108.0 -32.31 7.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.688 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 139.89 -163.73 26.2 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.537 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 23.7 p -145.53 164.69 30.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.794 0.331 . . . . 0.0 110.884 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -170.45 165.07 8.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.46 ' CG2' ' HB2' ' A' ' 70' ' ' LYS . 96.6 mt -112.07 129.51 67.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 85.6 t -81.69 99.74 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.181 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.518 ' O ' HD11 ' A' ' 182' ' ' LEU . 20.7 mt-10 -95.94 -73.66 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.766 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.612 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -97.32 177.43 5.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.109 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 83.2 mt -129.51 143.11 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.303 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -119.13 125.02 48.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.019 0.438 . . . . 0.0 110.89 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 163' ' ' LYS . 4.7 tp -106.99 120.93 43.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.59 ' N ' HD12 ' A' ' 162' ' ' LEU . 50.3 mttt -125.82 153.08 44.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.01 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.448 ' HD2' HD21 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -114.72 172.2 7.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.503 ' OG ' ' CZ ' ' A' ' 174' ' ' TYR . 1.7 m -137.11 121.81 18.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 97.1 m -129.13 99.51 5.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.009 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 9.6 mt -65.95 133.24 50.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 44.2 p -137.64 155.36 75.21 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.391 0.615 . . . . 0.0 111.204 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -47.67 -32.94 17.45 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.827 2.352 . . . . 0.0 112.244 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -79.93 -26.17 40.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 149.11 173.4 19.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.607 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.55 129.43 17.82 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.339 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 49.8 mm -101.24 128.8 53.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . 0.503 ' CZ ' ' OG ' ' A' ' 165' ' ' SER . 4.4 m-85 -129.03 120.99 26.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 164' ' ' LYS . 30.5 tt0 -151.6 159.67 43.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.805 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.403 HG21 ' HG3' ' A' ' 179' ' ' ARG . 8.5 m -85.0 146.45 27.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.193 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.448 HD21 ' HD2' ' A' ' 164' ' ' LYS . 21.7 mt -110.77 -34.23 6.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.969 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.591 ' HB2' ' HE2' ' A' ' 58' ' ' LYS . . . -149.06 149.26 30.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.15 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' ARG . . . . . 0.403 ' HG3' HG21 ' A' ' 176' ' ' THR . 0.0 OUTLIER -139.68 108.59 5.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.749 -179.696 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.612 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 88.6 m-85 -99.4 100.6 11.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.822 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -97.11 125.9 41.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.059 0.457 . . . . 0.0 110.736 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.518 HD11 ' O ' ' A' ' 158' ' ' GLU . 21.7 mt -82.39 -64.39 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.953 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 3.6 t -114.07 161.3 17.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -74.81 141.69 44.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.969 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -106.51 98.9 8.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.676 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -120.77 109.59 15.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.725 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -119.23 126.78 52.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.809 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . 0.535 ' O ' ' CG ' ' A' ' 188' ' ' HIS . 8.5 p-80 -108.45 118.53 37.01 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -113.77 131.01 56.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 2.6 t60 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -179.86 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 ptt? . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.879 0.371 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.37 111.95 20.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.839 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.63 160.93 13.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -171.57 133.87 0.81 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.041 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.44 HD11 ' HB3' ' A' ' 44' ' ' LYS . 8.2 pt -98.87 115.75 40.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.089 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.485 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -115.09 166.37 11.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.562 HG21 HG22 ' A' ' 157' ' ' VAL . 36.3 mt -109.06 123.21 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.196 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -50.95 128.4 21.2 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.059 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 m -104.8 90.36 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.959 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 t -44.33 169.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.712 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -51.63 -40.6 60.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.807 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.8 p -43.09 -35.16 1.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 56.1 t -96.26 -52.1 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.274 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -46.23 -68.16 0.22 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -48.4 -40.96 27.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.455 ' HB1' ' HA ' ' A' ' 152' ' ' PHE . . . -57.19 -57.16 13.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.6 mt -59.69 -47.07 87.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.017 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.3 t -57.45 -41.79 79.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.281 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -49.01 -45.68 42.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.686 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.67 -50.93 65.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.056 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.481 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 42.0 mt-30 -45.69 -57.1 4.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -41.89 -38.41 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -75.06 -40.28 60.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.048 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.467 HG23 ' HD3' ' A' ' 143' ' ' LYS . 53.4 mt -52.25 -57.15 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.15 160.26 0.37 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.536 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.2 p -123.07 44.59 2.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.799 0.333 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -79.13 -61.43 2.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.62 -52.89 7.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.804 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.79 149.9 22.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.218 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -103.82 109.04 20.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.926 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.421 HG12 HG22 ' A' ' 131' ' ' VAL . 17.2 mt -126.41 129.01 71.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.136 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -89.64 88.66 7.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.481 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 19.1 m-85 -56.13 174.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.0 0.429 . . . . 0.0 111.045 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 128' ' ' LEU . 58.0 t -119.06 147.12 22.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -40.95 161.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.843 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.3 mtt85 -72.68 -43.59 62.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.953 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -83.34 21.37 1.16 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.044 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -122.94 4.11 9.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.05 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.432 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 24.1 m-85 -84.66 6.0 25.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.485 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 2.4 p-80 -49.9 141.05 11.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.4 mt -79.17 119.04 27.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.6 m -70.29 105.88 3.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.953 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.588 HD23 ' O ' ' A' ' 43' ' ' LEU . 4.6 tt -68.82 -44.05 74.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.44 ' HB3' HD11 ' A' ' 5' ' ' ILE . 9.1 tmtt? -162.35 125.65 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -86.47 131.41 34.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.966 0.412 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.669 ' HB3' HD11 ' A' ' 49' ' ' ILE . 21.4 mt -102.57 -60.37 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.757 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.6 -132.51 11.05 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.332 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -63.4 132.09 50.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.85 0.357 . . . . 0.0 110.993 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.669 HD11 ' HB3' ' A' ' 46' ' ' LEU . 15.2 mt -155.39 144.11 12.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 52' ' ' GLU . 47.8 p -87.87 137.84 31.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.229 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -43.67 -22.84 0.06 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 50' ' ' THR . 14.0 mt-10 -77.94 -61.47 1.99 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.618 ' O ' HD12 ' A' ' 57' ' ' ILE . 21.7 mt-30 -59.33 -25.84 64.52 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.087 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.98 -51.19 10.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -62.57 -32.39 73.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -57.56 -51.74 68.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.723 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.746 ' H ' HD12 ' A' ' 57' ' ' ILE . 4.0 mp -51.64 -54.64 11.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.171 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.456 ' HE3' ' CB ' ' A' ' 178' ' ' ALA . 42.1 mtpt -36.27 -71.42 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 58' ' ' LYS . 15.7 mmtp -37.25 -58.2 0.83 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.765 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.496 HG22 HD12 ' A' ' 64' ' ' ILE . 76.7 mt -43.94 -42.7 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.6 mt -74.31 -58.73 3.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.855 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -43.88 -38.63 3.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.943 0.402 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -77.98 -66.12 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.496 HD12 HG22 ' A' ' 60' ' ' ILE . 70.2 mt -41.04 -69.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.987 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.429 ' HB2' ' CD1' ' A' ' 160' ' ' ILE . . . -36.03 -34.73 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.061 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 64' ' ' ILE . 25.4 tptp -79.78 -45.14 19.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.701 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 64' ' ' ILE . 10.2 ptpt -56.35 -14.33 2.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.005 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.494 ' HE1' HG23 ' A' ' 64' ' ' ILE . 54.0 m-85 -103.08 172.4 6.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.943 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -109.09 144.88 36.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' CD ' ' HA ' ' A' ' 158' ' ' GLU . 20.0 mmtm -61.37 110.02 1.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.581 ' O ' HG23 ' A' ' 156' ' ' ILE . 10.4 t60 -99.41 155.77 17.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.999 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -112.13 103.63 11.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.94 0.4 . . . . 0.0 110.762 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 29.3 m -106.0 167.87 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.497 ' OD1' ' N ' ' A' ' 75' ' ' VAL . 2.6 t-20 -121.88 159.37 26.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.739 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.4 p -120.29 114.07 42.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 28.5 ttt180 -164.99 147.22 8.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.858 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.419 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 95.99 137.67 9.39 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.691 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 91' ' ' TRP . 65.7 mt -131.81 136.03 57.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.735 0.303 . . . . 0.0 111.208 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -112.62 169.77 13.17 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.448 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.9 m -139.47 160.65 28.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.832 0.349 . . . . 0.0 111.174 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.594 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 11.2 m-85 -145.41 152.1 49.06 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.867 0.841 . . . . 0.0 110.773 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.3 Cg_endo -69.73 -22.28 9.7 Favored 'Cis proline' 0 C--N 1.343 0.257 0 C-N-CA 122.763 -1.766 . . . . 0.0 112.379 0.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -166.12 163.08 12.17 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.808 0.813 . . . . 0.0 110.82 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 85' ' ' ASN . 65.0 Cg_exo -47.85 -63.29 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' PRO . 6.2 m120 -37.94 -37.97 0.28 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -133.88 99.38 4.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 54.3 t -89.63 130.65 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.259 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -124.94 -39.48 2.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.1 t -134.22 122.32 40.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.15 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 82.2 mt -89.87 130.02 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.594 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 30.3 p-90 -144.66 146.3 32.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -95.62 164.29 12.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.96 149.53 17.0 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.372 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.4 t -100.31 146.94 8.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.781 0.324 . . . . 0.0 111.128 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' A' ' 96' ' ' ASN . 48.2 mm-40 -71.68 -176.61 1.66 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.503 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.5 OUTLIER -29.61 99.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -123.06 54.02 1.27 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.804 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -68.81 -42.96 76.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.948 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.554 HG21 ' HB2' ' A' ' 71' ' ' HIS . 10.1 mm -61.45 -33.01 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.023 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.426 HD11 HG21 ' A' ' 157' ' ' VAL . 58.7 mt -78.38 -19.43 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.089 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -75.15 -70.95 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.789 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.435 ' NZ ' ' HB3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -38.15 -39.88 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.0 mt -64.07 -59.09 4.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.156 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -49.79 -35.8 23.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.004 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -71.42 -38.15 71.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.715 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -67.06 -49.48 64.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.758 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 66.8 mt -52.57 -40.66 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 111' ' ' LEU . 12.9 t70 -73.78 -54.89 7.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.06 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 108' ' ' ASP . 1.7 m-20 -37.04 -47.94 0.76 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -67.94 -41.64 82.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.036 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.902 HD23 HD12 ' A' ' 114' ' ' LEU . 38.3 mt -60.91 -38.74 86.77 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.949 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -38.91 -34.6 0.16 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.009 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -76.18 -39.65 54.32 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.786 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.902 HD12 HD23 ' A' ' 111' ' ' LEU . 55.9 mt -66.67 -26.31 66.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.959 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 123.91 61.6 0.19 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.42 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.551 ' CE1' HD22 ' A' ' 111' ' ' LEU . 89.7 m-85 -140.05 162.13 35.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.028 0.442 . . . . 0.0 110.697 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -79.02 156.54 28.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.017 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.82 118.26 36.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.785 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -98.71 104.92 17.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.837 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.06 -73.87 0.38 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.352 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -93.41 124.73 37.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.042 0.449 . . . . 0.0 110.903 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -99.72 152.55 19.97 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 93.9 t -138.6 132.58 41.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.39 98.18 9.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.184 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.425 ' C ' HD12 ' A' ' 126' ' ' ILE . 4.3 p-80 -132.72 164.69 26.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.647 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.616 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.7 mp -136.99 106.7 4.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 99.7 m -64.85 112.14 3.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.965 0.412 . . . . 0.0 111.241 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.525 ' O ' HG23 ' A' ' 34' ' ' VAL . 47.0 mt -74.43 -41.41 60.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.975 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -175.24 -168.97 36.49 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.546 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -132.84 149.36 52.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.81 0.338 . . . . 0.0 110.81 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.421 HG22 HG12 ' A' ' 31' ' ' ILE . 80.5 t -97.9 113.17 31.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.31 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.61 -57.02 3.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -156.36 132.1 9.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.478 ' CG2' ' N ' ' A' ' 135' ' ' LYS . 1.7 p -131.99 157.31 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.232 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.478 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 46.0 tttt -107.21 -40.7 5.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.19 108.89 20.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.095 0.474 . . . . 0.0 110.819 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -69.48 -59.23 3.12 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.8 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 33.6 mt -41.37 -59.18 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -37.85 -35.3 0.23 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.449 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 67.0 mt -56.06 -56.4 21.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.63 0.252 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -74.92 -51.76 12.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.093 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 31.8 mmt -39.63 -37.81 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.467 ' HD3' HG23 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -68.03 -50.59 54.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 39.9 mt -42.18 -62.52 0.92 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.722 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 21.1 mmtm -38.91 -43.36 0.95 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.982 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -67.49 -43.84 79.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.038 0.447 . . . . 0.0 110.996 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.3 mp -98.78 34.48 2.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.668 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -100.41 -32.48 10.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 150' ' ' GLU . 23.8 p30 -109.11 -30.62 7.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 149' ' ' ASN . 9.3 mt-10 -35.42 122.31 0.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.814 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -83.77 162.8 20.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.739 ' HB2' HG13 ' A' ' 75' ' ' VAL . 63.3 m-85 -125.08 -36.92 2.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 137.12 -164.29 25.29 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.513 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 17.8 m -145.81 164.56 31.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.026 0.441 . . . . 0.0 110.864 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -166.33 173.88 9.62 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.855 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 71' ' ' HIS . 57.4 mt -115.98 131.52 68.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.562 HG22 HG21 ' A' ' 7' ' ' ILE . 95.6 t -86.74 98.36 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.978 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.448 ' HA ' ' CD ' ' A' ' 70' ' ' LYS . 14.6 mp0 -99.99 -70.65 0.73 Allowed 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.775 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -86.46 176.1 8.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.165 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 65' ' ' ALA . 85.0 mt -137.32 150.75 26.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.042 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -119.66 133.35 55.68 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.07 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 49.1 tp -115.89 101.68 9.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.053 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -105.58 166.27 10.57 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.971 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.605 ' HG2' HD21 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -125.64 176.42 6.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.044 0.45 . . . . 0.0 110.683 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 29.4 t -145.32 130.05 18.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.725 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 32.3 m -141.95 105.18 4.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.043 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.88 134.08 41.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 68.7 p -135.19 155.85 78.58 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.355 0.598 . . . . 0.0 111.355 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -48.13 -32.31 18.55 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.834 2.356 . . . . 0.0 112.259 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -80.42 -26.81 38.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.973 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 151.25 175.39 23.04 Favored Glycine 0 C--N 1.328 0.139 0 C-N-CA 120.839 -0.695 . . . . 0.0 112.419 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 136.3 32.54 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.564 2.176 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 47.9 mm -108.4 119.86 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.276 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -117.38 115.28 24.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -143.18 162.21 36.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.402 HG21 ' HG3' ' A' ' 179' ' ' ARG . 3.3 m -92.77 148.35 22.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.062 0.458 . . . . 0.0 110.967 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.605 HD21 ' HG2' ' A' ' 164' ' ' LYS . 20.0 mt -110.16 -37.01 5.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.958 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.456 ' CB ' ' HE3' ' A' ' 58' ' ' LYS . . . -156.51 141.21 16.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.025 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' ARG . . . . . 0.428 ' HD3' ' N ' ' A' ' 179' ' ' ARG . 1.1 mpp_? -127.64 105.02 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.775 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 10.2 m-85 -92.33 98.27 11.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -100.11 130.26 46.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 27.0 mt -98.29 -60.89 1.46 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.113 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 72.5 m -129.18 139.91 51.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.813 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.51 156.62 35.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.034 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -152.08 114.59 4.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 187' ' ' HIS . 18.2 t-160 -141.63 140.41 33.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 186' ' ' HIS . 32.3 m170 -36.64 -51.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -142.82 160.96 39.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -85.67 89.9 7.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.014 0.435 . . . . 0.0 111.007 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.04 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.8 ptt? . . . . . 0 N--CA 1.456 -0.139 0 CA-C-O 120.657 0.265 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -76.54 75.68 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.749 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.778 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -68.72 149.14 49.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.285 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.493 ' O ' HD12 ' A' ' 162' ' ' LEU . 45.0 p90 -163.73 131.99 3.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.966 0.412 . . . . 0.0 110.704 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.841 HD11 ' HB3' ' A' ' 44' ' ' LYS . 32.5 pt -87.41 140.68 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -145.18 165.42 28.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.8 mt -109.5 136.69 44.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.224 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.93 132.93 55.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.752 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.427 HG23 ' HG3' ' A' ' 14' ' ' ARG . 3.0 m -109.86 91.4 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 t -44.62 168.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.616 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -52.73 -33.84 49.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.039 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.6 p -47.89 -35.04 9.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.0 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 96.7 t -96.78 -58.2 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.112 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.731 ' O ' HG23 ' A' ' 18' ' ' VAL . 77.7 mtt180 -40.71 -61.04 1.01 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.866 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -55.68 -42.57 75.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.48 -62.81 1.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.4 mt -52.22 -40.41 61.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.743 HG21 ' HD3' ' A' ' 36' ' ' ARG . 98.0 t -61.2 -40.21 85.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.023 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.7 ttt85 -53.41 -45.42 69.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.676 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.53 -51.7 68.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 24' ' ' ILE . 53.8 mt-30 -46.25 -60.9 2.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -40.35 -38.92 0.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.805 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.534 ' CD2' HD11 ' A' ' 147' ' ' LEU . 48.5 t80 -77.1 -32.94 56.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.974 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.481 ' N ' ' O ' ' A' ' 21' ' ' GLN . 69.1 mt -67.63 -62.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.21 164.31 0.17 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.473 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.4 p -114.97 39.77 2.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.072 0.463 . . . . 0.0 110.961 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -58.91 -64.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.719 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -92.83 -41.7 9.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.44 146.9 25.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.989 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.583 ' HG3' ' CZ ' ' A' ' 133' ' ' PHE . 1.7 mmmp? -104.62 116.64 32.4 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.746 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.715 HG12 HG22 ' A' ' 131' ' ' VAL . 35.9 mt -135.26 121.94 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.089 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -83.32 81.11 8.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.938 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.48 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 13.3 m-85 -56.98 162.68 2.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.981 0.419 . . . . 0.0 110.791 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.513 HG12 ' N ' ' A' ' 35' ' ' GLU . 22.0 t -104.81 160.78 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.184 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.513 ' N ' HG12 ' A' ' 34' ' ' VAL . 58.8 mm-40 -51.62 165.99 0.15 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.743 ' HD3' HG21 ' A' ' 18' ' ' VAL . 7.0 mtt85 -74.28 -41.73 60.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.2 pm0 -87.3 26.44 1.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.948 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -126.61 6.98 6.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -87.59 6.45 34.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -48.34 117.85 2.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.479 HG12 HD11 ' A' ' 126' ' ' ILE . 56.6 mt -54.73 125.01 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.317 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.1 m -78.83 102.7 8.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.013 0.435 . . . . 0.0 111.024 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 43' ' ' LEU . 4.6 tt -64.53 -39.43 93.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.841 ' HB3' HD11 ' A' ' 5' ' ' ILE . 19.8 tttm -166.09 140.12 4.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.682 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -96.08 140.0 31.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.5 mt -110.84 -64.18 1.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.014 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.55 -134.9 12.51 Favored Glycine 0 C--O 1.227 -0.315 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.33 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -66.11 133.99 51.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.71 0.291 . . . . 0.0 111.034 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.778 HD12 ' HB3' ' A' ' 3' ' ' ALA . 11.9 mt -152.96 146.52 14.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.054 0.454 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.7 p -95.5 144.63 25.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.285 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -47.47 -28.66 2.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -71.94 -64.87 0.85 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.446 ' O ' HD12 ' A' ' 57' ' ' ILE . 78.0 mm-40 -51.19 -24.1 3.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.06 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.47 ' HA ' HD13 ' A' ' 57' ' ' ILE . . . -52.61 -39.19 61.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.119 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -65.52 -19.8 66.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.988 0.423 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.534 ' HG2' HD21 ' A' ' 114' ' ' LEU . 4.6 tp10 -77.33 -58.27 3.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.964 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.796 ' H ' HD12 ' A' ' 57' ' ' ILE . 3.9 mp -39.23 -61.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.711 ' HE2' ' HB2' ' A' ' 178' ' ' ALA . 92.0 mttt -34.53 -72.21 0.06 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.03 0.443 . . . . 0.0 111.075 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' LYS . 63.1 mmtt -34.31 -54.18 0.51 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.041 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 67.7 mt -51.24 -52.56 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.219 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.9 mt -60.07 -56.93 15.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -46.93 -40.23 13.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.788 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -71.5 -52.99 15.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.561 HD13 ' HB3' ' A' ' 106' ' ' GLU . 65.6 mt -61.89 -65.35 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.521 ' HB2' HD12 ' A' ' 160' ' ' ILE . . . -43.08 -21.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.16 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' ILE . 3.5 tppp? -91.74 -50.63 5.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.061 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.487 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 7.9 ptmt -58.32 -13.89 6.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.827 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.45 ' CE2' HG23 ' A' ' 64' ' ' ILE . 46.2 m-85 -107.61 163.99 12.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.93 176.29 5.2 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.754 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -114.84 104.56 12.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.096 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.626 ' O ' HG23 ' A' ' 156' ' ' ILE . 4.4 t60 -93.64 173.01 7.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.472 ' H ' ' CD2' ' A' ' 71' ' ' HIS . 44.3 tt0 -106.98 109.99 22.02 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 20.7 m -110.12 172.06 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.311 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.507 ' OD1' ' N ' ' A' ' 75' ' ' VAL . 2.0 t-20 -120.73 165.34 15.24 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.916 0.389 . . . . 0.0 110.838 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.507 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 1.8 p -129.61 109.3 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.104 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.405 ' C ' ' HD3' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -156.89 146.14 20.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.889 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.74 145.56 14.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.374 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.8 mt -138.77 130.23 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.911 0.386 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.418 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -113.38 164.52 12.04 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.385 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.67 177.35 7.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 120.678 0.275 . . . . 0.0 111.242 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.576 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 10.6 m-85 -162.22 147.49 10.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.791 0.805 . . . . 0.0 110.763 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 52.5 Cg_endo -69.91 -29.65 5.63 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.797 -1.751 . . . . 0.0 112.207 0.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -156.57 160.18 30.89 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.597 0.713 . . . . 0.0 110.861 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -47.67 -61.93 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.85 2.367 . . . . 0.0 112.365 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -38.94 -36.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -134.72 89.26 2.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 78.0 t -82.14 133.38 29.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -127.79 -35.13 2.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 76.2 t -135.48 116.51 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.672 ' CD1' HD13 ' A' ' 31' ' ' ILE . 71.9 mt -87.15 127.71 40.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.576 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 41.5 p-90 -142.78 145.87 33.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.985 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.41 165.01 12.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.038 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.96 155.25 17.84 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.592 -0.814 . . . . 0.0 112.601 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 71.3 t -110.63 148.39 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.703 0.287 . . . . 0.0 111.057 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.518 ' O ' ' C ' ' A' ' 96' ' ' ASN . 34.3 mm-40 -71.01 -176.39 1.37 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.004 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.518 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.7 p30 -27.73 113.42 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -129.99 38.15 3.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -49.54 -47.76 48.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.478 HD13 ' HE2' ' A' ' 102' ' ' LYS . 18.7 mm -58.15 -51.39 71.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.265 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 100' ' ' ILE . 53.7 mt -64.45 -12.79 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.151 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.452 ' HG3' ' CD1' ' A' ' 122' ' ' PHE . 14.9 ttmt -85.61 -62.45 1.52 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.478 ' HE2' HD13 ' A' ' 99' ' ' ILE . 9.1 pttt -50.78 -26.26 5.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.964 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.429 HG12 ' CG ' ' A' ' 68' ' ' TYR . 91.6 mt -78.07 -51.31 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.993 0.425 . . . . 0.0 111.24 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.53 -38.13 43.02 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.268 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -65.84 -42.36 90.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.561 ' HB3' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -61.7 -53.54 54.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.77 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 59.2 mt -48.8 -35.1 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.037 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 110' ' ' GLU . 4.2 t0 -79.99 -56.62 4.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.901 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 108' ' ' ASP . 5.7 t70 -34.14 -35.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.739 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 108' ' ' ASP . 59.6 mm-40 -83.19 -51.63 7.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.73 HD23 HD12 ' A' ' 114' ' ' LEU . 59.2 mt -52.58 -44.04 65.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 111' ' ' LEU . . . -36.37 -39.73 0.2 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.418 ' HD3' ' C ' ' A' ' 113' ' ' LYS . 8.6 tmtt? -66.73 -43.42 84.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.73 HD12 HD23 ' A' ' 111' ' ' LEU . 23.3 mt -67.27 -28.34 67.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.732 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 120.99 65.32 0.25 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.379 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.504 ' CE1' HD22 ' A' ' 111' ' ' LEU . 81.3 m-85 -137.25 154.74 50.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.839 0.352 . . . . 0.0 111.042 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -82.37 136.15 35.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -109.69 129.65 55.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -99.54 123.12 43.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.933 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.14 -67.52 2.08 Favored Glycine 0 C--N 1.329 0.177 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.393 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -87.2 133.36 33.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.452 ' CD1' ' HG3' ' A' ' 101' ' ' LYS . 2.0 t80 -99.51 133.12 44.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 5.2 t -127.79 120.24 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.243 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.79 98.69 11.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.127 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.489 ' C ' HD12 ' A' ' 126' ' ' ILE . 4.1 p-80 -135.23 164.64 27.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 126' ' ' ILE . 3.7 mp -135.89 107.41 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 90.6 m -61.26 116.66 4.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.29 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 48.8 mt -81.08 -36.34 30.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.026 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 173.09 -177.88 45.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.513 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -118.17 144.28 45.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.948 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.715 HG22 HG12 ' A' ' 31' ' ' ILE . 94.8 t -91.35 127.33 43.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.226 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -90.69 -58.33 2.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.583 ' CZ ' ' HG3' ' A' ' 30' ' ' LYS . 36.8 p90 -164.38 133.74 3.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.792 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.657 HG11 HD21 ' A' ' 140' ' ' LEU . 2.0 p -129.02 154.16 39.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.415 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 18.9 tptp -107.75 -42.84 4.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.991 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -77.44 105.34 8.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -69.83 -62.02 1.55 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 32.1 mt -44.72 -48.2 10.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.97 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -46.43 -42.97 14.18 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.332 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.657 HD21 HG11 ' A' ' 134' ' ' VAL . 93.9 mt -48.37 -60.77 2.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.784 0.326 . . . . 0.0 110.868 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -68.27 -53.24 25.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.049 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 8.1 mmt -41.99 -40.7 2.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.788 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.43 ' HA ' ' CD ' ' A' ' 146' ' ' GLU . 13.8 ttmt -71.02 -38.92 72.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.539 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 62.7 mt -56.44 -40.18 74.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -64.64 -62.05 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.763 ' HG3' HD13 ' A' ' 147' ' ' LEU . 5.8 pt-20 -52.34 -31.41 33.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.002 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.763 HD13 ' HG3' ' A' ' 146' ' ' GLU . 10.3 mp -108.33 37.83 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 144' ' ' LEU . . . -105.6 -38.84 6.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.112 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -105.38 -21.45 13.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.719 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -39.97 106.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.786 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -70.42 154.55 41.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.753 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.425 ' HB2' HG13 ' A' ' 75' ' ' VAL . 40.9 m-85 -117.25 -29.44 5.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.867 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 131.68 -163.62 23.71 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.327 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 18.3 p -144.22 168.2 20.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.052 0.453 . . . . 0.0 110.883 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -169.08 159.65 9.32 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.012 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.626 HG23 ' O ' ' A' ' 71' ' ' HIS . 60.2 mt -107.28 131.94 56.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.107 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 63.0 t -73.11 100.04 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.049 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.628 ' HB3' HD12 ' A' ' 182' ' ' LEU . 27.8 mt-10 -99.63 -71.48 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.405 ' CB ' ' HA ' ' A' ' 181' ' ' GLU . . . -99.18 155.17 17.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.03 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . 0.521 HD12 ' HB2' ' A' ' 65' ' ' ALA . 97.3 mt -116.09 146.44 20.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.067 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -128.28 139.9 52.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.146 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 4' ' ' PHE . 12.1 tp -121.91 123.04 40.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.926 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -123.26 162.15 23.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.534 ' HB3' HD11 ' A' ' 177' ' ' LEU . 7.7 pttp -125.13 149.01 48.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 40.8 t -117.89 132.53 56.41 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 96.8 m -142.71 105.97 4.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 15.5 mt -75.87 132.75 40.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.033 0.444 . . . . 0.0 110.777 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 76.7 p -135.1 155.4 79.06 Favored Pre-proline 0 N--CA 1.453 -0.286 0 CA-C-O 121.419 0.628 . . . . 0.0 111.318 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.98 -32.1 17.3 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.752 2.301 . . . . 0.0 112.205 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -80.22 -26.52 39.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 151.16 173.67 21.32 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.47 -0.871 . . . . 0.0 112.447 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.59 130.66 19.95 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.559 2.173 . . . . 0.0 112.497 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 39.0 mm -102.83 129.51 54.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.986 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -131.54 107.32 8.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.021 0.439 . . . . 0.0 110.971 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -134.68 150.23 50.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.667 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 29.5 m -77.51 151.32 34.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' A' ' 164' ' ' LYS . 26.1 mt -115.6 -41.5 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.711 ' HB2' ' HE2' ' A' ' 58' ' ' LYS . . . -160.16 145.45 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.998 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' ARG . . . . . 0.434 ' HD3' ' N ' ' A' ' 179' ' ' ARG . 0.0 OUTLIER -141.91 134.71 28.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -116.07 99.17 7.06 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . 0.405 ' HA ' ' CB ' ' A' ' 159' ' ' ALA . 14.1 tt0 -99.67 117.91 35.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.628 HD12 ' HB3' ' A' ' 158' ' ' GLU . 28.2 mt -52.18 -57.43 9.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.911 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 1.1 t -174.87 178.22 1.87 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.761 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -113.37 150.96 31.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.696 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 186' ' ' HIS . 34.8 m80 -93.32 111.55 23.23 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.009 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 185' ' ' HIS . 24.3 t-80 -35.84 -53.61 0.74 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 -79.58 80.89 5.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.704 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -101.87 149.71 23.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.935 0.398 . . . . 0.0 110.691 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.433 ' CD2' ' H ' ' A' ' 190' ' ' HIS . 11.4 t-160 -106.39 159.29 16.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.926 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . 0.433 ' H ' ' CD2' ' A' ' 189' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.49 ' O ' ' CG ' ' A' ' 1' ' ' MET . 8.0 ttt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.05 0.452 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.3 mtt85 -63.99 91.3 0.07 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.867 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -88.63 153.46 21.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.25 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -168.03 146.07 4.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.8 pt -97.65 154.6 3.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.661 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -148.45 160.48 43.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.997 HG21 HG22 ' A' ' 157' ' ' VAL . 75.8 mt -104.69 106.08 19.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.046 0.45 . . . . 0.0 111.052 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -35.45 139.75 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.467 HG23 ' HG3' ' A' ' 14' ' ' ARG . 2.7 m -122.32 88.79 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -43.68 161.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' HA ' ' NH1' ' A' ' 14' ' ' ARG . 11.7 pt-20 -44.27 -35.34 2.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.5 t -43.09 -37.0 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.432 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 86.0 t -98.03 -60.28 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.346 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.584 ' O ' HG23 ' A' ' 18' ' ' VAL . 9.3 mtm105 -41.08 -56.03 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -53.96 -33.52 57.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -68.36 -60.19 2.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.1 mt -51.15 -43.26 61.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 14' ' ' ARG . 94.9 t -60.25 -41.89 88.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.965 0.412 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -50.46 -43.03 55.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.43 -48.46 72.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.944 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.787 ' HA ' HD12 ' A' ' 24' ' ' ILE . 53.7 mt-30 -48.37 -58.51 4.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.99 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -42.45 -42.07 3.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -70.41 -49.37 49.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.787 HD12 ' HA ' ' A' ' 21' ' ' GLN . 77.6 mt -41.46 -52.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.51 129.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.353 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.6 p -104.87 51.72 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.008 0.432 . . . . 0.0 110.927 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -102.17 -36.41 8.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.472 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 30.3 mm-40 -95.92 -57.67 2.3 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.776 0.322 . . . . 0.0 110.817 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.407 ' CB ' ' HB ' ' A' ' 134' ' ' VAL . . . -97.32 133.69 41.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.019 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -81.43 111.76 18.07 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.004 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.519 HG12 HG22 ' A' ' 131' ' ' VAL . 9.9 mt -133.91 125.46 48.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.237 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -91.51 85.07 5.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.026 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.66 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 19.8 m-85 -56.76 173.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.8 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.6 t -118.27 153.1 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.077 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -46.05 170.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -80.04 -41.06 26.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.044 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -83.15 18.85 1.58 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.655 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -124.52 15.11 8.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.793 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -96.64 9.23 42.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.661 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 5.2 p-80 -57.41 128.91 39.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.951 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.6 mt -60.18 115.33 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.245 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.5 m -69.2 89.34 0.45 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.234 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.454 ' O ' ' CE1' ' A' ' 122' ' ' PHE . 5.5 tt -49.52 -54.18 19.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.793 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.455 ' HD2' ' CD2' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -152.92 152.43 31.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -99.96 148.58 24.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.455 ' CD2' ' HD2' ' A' ' 44' ' ' LYS . 14.7 mt -116.45 -60.17 1.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.74 -138.02 13.65 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -73.87 130.45 39.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 111.02 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.867 HD12 ' HB3' ' A' ' 3' ' ' ALA . 25.2 mt -139.79 148.52 22.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.956 0.408 . . . . 0.0 111.253 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.0 p -96.97 142.8 28.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.97 0.414 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -41.72 -38.76 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.764 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -62.28 -46.43 88.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -72.24 -31.43 65.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.684 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -39.82 -33.28 0.19 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -78.84 -37.17 41.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.665 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 53' ' ' GLN . 4.7 mm-40 -59.95 -47.71 84.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.019 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 57' ' ' ILE . 1.5 mp -52.71 -51.6 34.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.091 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.568 ' HE2' ' HB2' ' A' ' 178' ' ' ALA . 5.1 mtpm? -59.09 -48.88 79.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -53.82 -55.17 28.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.764 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.9 mt -48.05 -53.12 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.995 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.0 mt -53.35 -50.14 65.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -44.04 -45.03 7.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.054 0.454 . . . . 0.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -68.83 -52.31 31.31 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.952 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.521 HG21 HG23 ' A' ' 103' ' ' ILE . 81.4 mt -59.14 -65.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.155 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -42.98 -28.27 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.192 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -87.03 -35.23 18.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.552 ' HD2' ' CE2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -72.01 -16.13 62.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.808 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.562 ' CD2' HG12 ' A' ' 103' ' ' ILE . 49.1 m-85 -109.01 171.16 7.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.064 0.459 . . . . 0.0 110.833 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -118.91 173.95 6.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.447 ' HB2' ' CG2' ' A' ' 156' ' ' ILE . 10.2 ptpp? -98.24 111.15 23.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.856 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.411 ' O ' HG23 ' A' ' 156' ' ' ILE . 52.2 t60 -99.54 169.28 9.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.009 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -105.13 99.28 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.173 0.511 . . . . 0.0 110.749 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.6 m -100.42 161.84 3.33 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.906 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -115.33 156.89 24.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.825 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.479 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.6 p -123.79 112.59 33.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.184 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.468 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 14.1 ttt180 -162.33 148.52 13.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.845 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.468 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 95.65 140.73 11.18 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.393 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.533 HG23 ' O ' ' A' ' 91' ' ' TRP . 20.1 mt -140.04 126.0 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 111.061 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.09 172.82 18.44 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.577 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.5 m -138.48 163.62 28.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.891 0.377 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.7 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 11.6 m-85 -145.7 154.65 52.24 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.681 0.753 . . . . 0.0 110.703 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 53.9 Cg_endo -69.68 -17.26 11.91 Favored 'Cis proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.748 -1.772 . . . . 0.0 112.407 0.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.409 ' N ' ' ND2' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -171.27 161.09 5.27 Favored Pre-proline 0 C--O 1.233 0.201 0 CA-C-O 121.503 0.668 . . . . 0.0 110.868 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -48.28 -58.24 1.87 Allowed 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.751 2.301 . . . . 0.0 112.176 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -39.65 -40.04 0.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -134.33 94.72 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.1 t -85.24 127.2 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.222 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -124.27 -33.73 3.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.725 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 74.3 t -135.89 122.67 33.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.214 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 66.8 mt -93.46 135.61 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.7 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 37.1 p-90 -152.62 144.75 23.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.017 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.58 169.66 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.76 151.86 17.41 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 76.1 t -104.88 144.16 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.772 0.32 . . . . 0.0 111.241 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 96' ' ' ASN . 40.2 mm-40 -72.7 -176.56 2.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.042 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.495 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -30.38 100.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.41 ' HB2' HD12 ' A' ' 100' ' ' ILE . 10.7 p-10 -119.63 42.36 2.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.9 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -45.34 -57.11 4.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.9 mm -48.51 -59.82 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.14 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.41 HD12 ' HB2' ' A' ' 97' ' ' ASP . 33.7 mt -44.03 -51.51 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -50.7 -54.5 22.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.949 0.404 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -50.6 -53.69 28.67 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.619 HG22 ' CD1' ' A' ' 107' ' ' ILE . 64.4 mt -59.65 -39.13 78.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.79 -33.74 72.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.209 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -80.58 -37.5 31.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -67.3 -43.0 82.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.619 ' CD1' HG22 ' A' ' 103' ' ' ILE . 63.5 mt -61.56 -48.85 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.188 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 109' ' ' ASP . 12.3 t0 -70.41 -55.03 10.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.745 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 108' ' ' ASP . 0.1 OUTLIER -36.55 -48.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.973 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -67.43 -49.5 63.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.822 HD23 HD12 ' A' ' 114' ' ' LEU . 33.4 mt -58.11 -26.67 62.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.58 -22.32 3.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.057 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -83.74 -41.19 17.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.822 HD12 HD23 ' A' ' 111' ' ' LEU . 66.5 mt -67.92 -24.14 65.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.858 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 121.18 63.3 0.24 Allowed Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.312 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -138.9 146.61 41.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.929 0.395 . . . . 0.0 110.853 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -67.71 148.78 50.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -113.79 123.3 49.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.999 0.428 . . . . 0.0 110.733 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -99.55 112.44 24.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -54.08 -71.4 0.71 Allowed Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.593 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -90.72 116.22 28.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.833 0.349 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.454 ' CE1' ' O ' ' A' ' 43' ' ' LEU . 40.4 t80 -98.04 147.4 24.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.014 0.435 . . . . 0.0 110.813 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 58.0 t -135.37 128.47 48.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.129 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -85.47 102.96 13.92 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -139.76 163.68 31.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.031 0.443 . . . . 0.0 110.801 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.581 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.6 mp -137.25 109.52 7.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.349 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 91.2 m -66.65 116.42 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.247 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.6 mt -80.7 -34.41 34.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 174.99 -176.5 47.14 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.413 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 48.8 mtt85 -122.02 146.59 47.02 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 110.769 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.519 HG22 HG12 ' A' ' 31' ' ' ILE . 68.7 t -97.47 125.03 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -93.71 -57.89 2.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -157.34 137.31 12.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.737 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' A' ' 135' ' ' LYS . 1.5 p -133.47 154.36 38.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.067 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.443 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 2.5 mptm? -104.75 -36.83 7.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.056 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -90.12 117.91 29.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.029 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -83.03 -68.23 0.72 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.899 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 31.4 mt -38.29 -56.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -39.36 -42.4 1.8 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.448 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 92.0 mt -46.76 -58.68 3.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.642 0.258 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -71.87 -59.18 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.253 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 13.6 mmt -40.93 -38.07 0.9 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.143 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -72.45 -58.37 3.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 50.7 mt -47.52 -38.1 13.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -51.93 -38.61 57.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.748 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -73.88 -41.65 61.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.646 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.458 ' N ' ' CD1' ' A' ' 147' ' ' LEU . 1.9 mp -85.89 8.29 20.81 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.987 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -87.06 -23.4 24.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -121.0 -19.61 7.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -53.11 104.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -65.21 157.17 29.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.668 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.479 ' HB2' HG13 ' A' ' 75' ' ' VAL . 43.5 m-85 -117.49 -32.0 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 134.24 -155.59 21.95 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.6 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 32.7 p -147.02 173.28 12.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.774 0.321 . . . . 0.0 111.003 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -173.8 170.37 3.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.137 0.494 . . . . 0.0 110.616 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.447 ' CG2' ' HB2' ' A' ' 70' ' ' LYS . 58.0 mt -121.25 136.72 57.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.047 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.997 HG22 HG21 ' A' ' 7' ' ' ILE . 53.4 t -83.11 101.81 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.415 ' HB3' HD12 ' A' ' 182' ' ' LEU . 17.0 mp0 -97.73 -70.26 0.73 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.183 0.516 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.901 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -99.0 179.35 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.058 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 161' ' ' GLU . 66.2 mt -134.4 155.25 38.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.191 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.47 ' N ' HG22 ' A' ' 160' ' ' ILE . 27.9 tt0 -131.13 138.37 49.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 11.1 tp -120.23 124.9 46.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.787 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -125.01 173.21 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.726 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.633 ' HE2' HD21 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -123.57 171.33 9.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.033 179.757 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 39.2 t -144.78 121.69 11.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 88.8 m -137.08 105.04 5.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 12.2 mt -74.78 139.47 43.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 10.9 p -143.25 155.88 61.31 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.631 0.729 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -47.76 -35.52 23.94 Favored 'Trans proline' 0 CA--C 1.527 0.126 0 C-N-CA 122.685 2.256 . . . . 0.0 112.295 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -79.87 -21.94 43.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 145.44 172.82 16.14 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.38 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . 0.456 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 53.1 Cg_endo -69.7 144.13 53.35 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.855 2.37 . . . . 0.0 112.252 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 27.4 mm -116.69 123.03 71.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -118.84 126.25 51.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.828 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -147.64 147.69 30.28 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.716 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.415 HG21 ' HG3' ' A' ' 179' ' ' ARG . 9.1 m -80.53 142.64 33.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.022 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.633 HD21 ' HE2' ' A' ' 164' ' ' LYS . 19.1 mt -109.62 -36.3 5.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.927 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.568 ' HB2' ' HE2' ' A' ' 58' ' ' LYS . . . -155.59 144.85 20.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.034 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' ARG . . . . . 0.415 ' HG3' HG21 ' A' ' 176' ' ' THR . 72.6 mtm180 -137.26 111.84 8.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.761 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.901 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 55.3 m-85 -100.7 97.86 8.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.793 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -100.41 116.19 31.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.415 HD12 ' HB3' ' A' ' 158' ' ' GLU . 80.1 mt -60.12 -53.55 56.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.005 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 6.4 t -56.34 168.63 0.51 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -111.51 -16.53 13.27 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.734 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -134.73 177.15 8.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.917 0.389 . . . . 0.0 110.708 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -173.11 141.2 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.821 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.434 ' CG ' ' O ' ' A' ' 187' ' ' HIS . 17.8 t-80 60.69 43.27 12.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.946 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.55 174.81 2.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.782 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -82.52 173.04 12.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.773 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.807 179.892 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 tpt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.792 0.33 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -79.21 64.46 4.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.548 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -63.58 143.95 57.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 163' ' ' LYS . 20.7 p90 -156.39 127.45 6.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.99 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.826 HD11 ' HB3' ' A' ' 44' ' ' LYS . 45.4 pt -85.16 142.74 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.08 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.738 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -142.96 162.04 36.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.225 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.74 HG21 HG22 ' A' ' 157' ' ' VAL . 63.8 mt -107.51 124.75 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.028 0.442 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.05 138.92 24.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.891 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.588 HG23 ' HG3' ' A' ' 14' ' ' ARG . 2.8 m -116.05 90.03 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.091 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 9' ' ' VAL . 37.1 t -37.66 156.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.961 0.41 . . . . 0.0 110.734 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -47.76 -26.13 1.49 Allowed 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.788 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.7 p -56.44 -35.64 68.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 37.2 t -94.18 -46.85 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.168 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.588 ' HG3' HG23 ' A' ' 9' ' ' VAL . 53.2 mtt180 -52.19 -53.79 38.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.759 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -64.96 -23.49 67.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.48 -58.2 3.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.13 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.8 mt -58.38 -46.27 86.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.805 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 14' ' ' ARG . 74.2 t -57.88 -40.8 77.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.082 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -51.08 -45.73 61.55 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.793 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.73 -44.06 97.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.279 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.69 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 51.9 mt-30 -53.05 -55.12 26.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.806 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -44.43 -38.91 4.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -77.21 -36.08 55.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.687 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 21' ' ' GLN . 96.5 mt -60.93 -60.18 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.85 166.28 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.383 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.8 m -119.84 50.83 1.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.981 0.42 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -54.78 -69.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.033 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -94.51 -34.69 12.59 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.799 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.51 162.62 18.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.5 ' HG2' ' CE2' ' A' ' 133' ' ' PHE . 57.3 tptt -124.42 93.14 3.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.8 mt -110.67 154.05 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.237 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -113.98 86.67 2.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.976 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.69 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 20.3 m-85 -58.34 167.41 1.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.097 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 35' ' ' GLU . 30.0 t -116.03 154.91 17.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.847 0.356 . . . . 0.0 111.17 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.422 ' N ' HG12 ' A' ' 34' ' ' VAL . 5.7 mm-40 -47.97 170.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -81.24 -43.22 19.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.813 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.24 13.81 1.74 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.053 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -118.32 8.62 12.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.451 ' O ' HG21 ' A' ' 126' ' ' ILE . 18.2 m-85 -91.95 9.81 31.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.135 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.738 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 1.4 p-80 -58.33 135.19 57.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.716 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 72.6 mt -68.07 107.09 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.984 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 m -58.52 88.08 0.01 OUTLIER 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.245 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.664 HD23 ' O ' ' A' ' 43' ' ' LEU . 3.9 tt -50.09 -41.24 47.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.954 0.407 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.826 ' HB3' HD11 ' A' ' 5' ' ' ILE . 26.6 tttm -167.62 145.34 4.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.816 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.446 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 36.6 t80 -98.9 133.67 42.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.97 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.467 ' HB3' HD11 ' A' ' 49' ' ' ILE . 64.4 mt -100.1 -63.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.029 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.08 -127.55 8.98 Favored Glycine 0 N--CA 1.454 -0.135 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.53 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -82.42 133.8 35.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.872 0.368 . . . . 0.0 111.074 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.604 HG22 ' N ' ' A' ' 50' ' ' THR . 51.0 mt -145.1 164.95 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.604 ' N ' HG22 ' A' ' 49' ' ' ILE . 55.1 p -104.75 132.24 51.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.867 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' THR . 16.1 tt0 -37.39 -30.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 50' ' ' THR . 5.6 mm-40 -75.01 -59.78 2.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 56' ' ' GLU . 34.5 mt-30 -55.05 -31.8 61.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -41.12 -51.2 3.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.004 0.431 . . . . 0.0 111.423 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -55.52 -33.29 63.64 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 53' ' ' GLN . 4.8 tp10 -62.37 -56.29 19.77 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.012 0.434 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.587 ' H ' HD12 ' A' ' 57' ' ' ILE . 2.7 mp -40.13 -43.18 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.125 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.495 ' N ' ' HE3' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -62.46 -65.43 0.69 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.842 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -37.83 -45.23 0.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.019 0.438 . . . . 0.0 110.936 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 89.9 mt -60.05 -51.5 72.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.119 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.6 -37.61 79.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -56.83 -35.47 68.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.07 -58.79 2.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.689 HG21 HG23 ' A' ' 103' ' ' ILE . 48.8 mt -47.14 -61.08 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.084 0.469 . . . . 0.0 111.062 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.55 -17.88 0.36 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -102.26 -23.76 13.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.021 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.486 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 7.8 ptmt -81.16 -6.66 59.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.537 ' CD2' HG12 ' A' ' 103' ' ' ILE . 42.5 m-85 -114.45 163.24 15.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.016 0.436 . . . . 0.0 110.951 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 tppt? -98.47 150.66 21.43 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -77.81 98.64 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.735 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -97.34 155.52 16.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.004 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -105.74 115.41 30.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.6 m -111.15 165.1 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.635 HD22 ' N ' ' A' ' 75' ' ' VAL . 0.4 OUTLIER -116.22 155.52 28.17 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.895 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.847 HG13 ' HB2' ' A' ' 152' ' ' PHE . 3.8 p -119.26 105.29 17.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.231 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.495 ' NH2' ' CG ' ' A' ' 151' ' ' ASP . 16.1 ttm105 -150.94 146.78 26.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.043 0.449 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.74 147.55 22.69 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.4 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.547 HG23 ' O ' ' A' ' 91' ' ' TRP . 26.9 mt -138.58 134.53 43.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 120.865 0.365 . . . . 0.0 111.005 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.491 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -113.14 152.03 18.11 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.392 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.7 m -122.06 176.11 4.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.897 0.38 . . . . 0.0 111.18 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.744 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 11.5 m-85 -160.73 151.76 15.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.493 0.663 . . . . 0.0 110.769 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.4 Cg_endo -69.43 -21.22 10.03 Favored 'Cis proline' 0 C--O 1.233 0.227 0 C-N-CA 122.634 -1.819 . . . . 0.0 112.483 -0.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.45 ' CG ' ' C ' ' A' ' 82' ' ' PRO . 0.4 OUTLIER -164.39 160.63 16.09 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.594 0.712 . . . . 0.0 110.97 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -47.91 -60.03 1.03 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.658 2.239 . . . . 0.0 112.429 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -41.48 -37.38 1.06 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -133.33 97.0 3.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.141 0.496 . . . . 0.0 110.844 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.5 t -89.05 129.44 40.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.344 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -124.6 -34.82 2.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.693 HG22 ' HG3' ' A' ' 130' ' ' ARG . 85.1 t -134.82 116.66 21.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.071 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 69.8 mt -88.45 129.5 39.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.007 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.744 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 26.6 p-90 -145.59 144.04 30.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.945 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.14 161.98 15.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.07 143.77 15.03 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.445 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.416 ' CG1' ' OD2' ' A' ' 97' ' ' ASP . 88.6 t -102.35 151.05 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.956 0.408 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.487 ' O ' ' C ' ' A' ' 96' ' ' ASN . 4.3 mm-40 -71.27 -176.55 1.5 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.763 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.487 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.1 t30 -31.14 113.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.84 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.416 ' OD2' ' CG1' ' A' ' 94' ' ' VAL . 63.4 m-20 -121.22 30.9 6.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.705 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 97' ' ' ASP . 5.0 tp10 -35.8 -60.62 0.52 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 100' ' ' ILE . 10.7 mm -48.52 -71.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.071 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 99' ' ' ILE . 71.8 mt -33.95 -61.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.17 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -39.84 -48.75 2.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.066 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -54.35 -52.78 60.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.768 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.689 HG23 HG21 ' A' ' 64' ' ' ILE . 83.9 mt -58.91 -45.16 91.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.078 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.15 -31.57 63.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.14 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -85.11 -39.25 18.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.818 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.98 -43.17 99.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.82 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.518 HD11 HG22 ' A' ' 103' ' ' ILE . 63.3 mt -59.03 -45.64 92.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.017 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -71.45 -43.05 67.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -47.02 -32.84 4.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -86.84 -44.22 11.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.939 HD23 HD12 ' A' ' 114' ' ' LEU . 48.9 mt -60.89 -28.11 68.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.38 -33.41 5.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.239 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 113' ' ' LYS . 0.7 OUTLIER -79.24 -36.97 39.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.763 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.939 HD12 HD23 ' A' ' 111' ' ' LEU . 23.1 mt -70.43 -16.8 62.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.888 0.375 . . . . 0.0 111.018 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 115.59 54.98 0.36 Allowed Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.511 ' CG ' ' HB3' ' A' ' 111' ' ' LEU . 40.1 m-85 -136.5 171.48 14.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.027 0.442 . . . . 0.0 110.876 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -127.13 141.11 51.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -106.96 150.03 26.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.886 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 120' ' ' GLY . 6.5 tt0 -99.61 122.94 43.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.852 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 119' ' ' GLU . . . -38.36 -70.48 0.29 Allowed Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.353 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -99.29 128.23 45.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.095 0.474 . . . . 0.0 111.092 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -100.12 141.75 32.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 11.2 t -125.82 124.46 66.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.031 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.12 96.05 10.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -137.82 167.88 20.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.615 ' N ' HD12 ' A' ' 126' ' ' ILE . 1.3 mp -137.23 104.81 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.262 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 90.3 m -59.66 122.99 15.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.044 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 77.5 mt -88.48 -28.24 20.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 168.36 -175.94 42.9 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.386 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.693 ' HG3' HG22 ' A' ' 89' ' ' VAL . 1.6 mpp_? -125.6 145.22 50.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.987 0.422 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.9 t -92.73 122.01 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.072 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -91.69 -54.79 3.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.801 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.5 ' CE2' ' HG2' ' A' ' 30' ' ' LYS . 26.6 p90 -157.01 129.65 7.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.511 HG21 HD21 ' A' ' 140' ' ' LEU . 1.9 p -131.69 154.02 39.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.188 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.424 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 29.9 tptt -114.82 -40.31 3.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -79.45 88.02 5.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -61.74 -60.73 3.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.78 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 32.3 mt -44.98 -49.21 11.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.858 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -46.76 -45.13 18.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.657 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.511 HD21 HG21 ' A' ' 134' ' ' VAL . 84.4 mt -47.35 -63.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.63 -60.01 3.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.035 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.7 mmt -39.86 -35.8 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.781 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -71.56 -53.46 13.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.809 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 77.3 mt -40.67 -62.22 0.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.878 0.37 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -39.11 -41.29 0.8 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.973 0.416 . . . . 0.0 111.058 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -67.97 -45.72 73.38 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 4.8 mp -101.05 35.49 2.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -97.57 -35.85 10.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.224 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 150' ' ' GLU . 62.4 m-80 -110.69 -23.96 10.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.847 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 149' ' ' ASN . 6.7 tp10 -35.55 115.4 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . 0.495 ' CG ' ' NH2' ' A' ' 76' ' ' ARG . 27.8 t70 -76.19 155.43 34.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.847 ' HB2' HG13 ' A' ' 75' ' ' VAL . 87.0 m-85 -117.23 -40.02 3.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.067 0.46 . . . . 0.0 110.973 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . 0.542 ' O ' HG12 ' A' ' 75' ' ' VAL . . . 139.78 -172.49 23.33 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.579 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 p -138.03 164.61 28.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.637 0.256 . . . . 0.0 110.851 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -169.77 178.84 3.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.674 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 87.3 mt -120.58 137.52 54.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.049 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.74 HG22 HG21 ' A' ' 7' ' ' ILE . 72.0 t -86.01 91.16 3.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -97.78 -70.71 0.71 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -85.93 143.54 28.14 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 97.3 mt -115.16 150.38 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.938 0.399 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.444 ' CG ' ' HG3' ' A' ' 179' ' ' ARG . 3.2 mt-10 -132.9 138.59 47.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.987 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.5 HD12 ' O ' ' A' ' 4' ' ' PHE . 14.7 tp -119.75 115.15 23.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.022 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -113.71 140.98 47.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.57 ' CE ' HD21 ' A' ' 177' ' ' LEU . 10.1 pttt -113.04 148.94 34.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.015 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 10.4 p -119.47 135.7 54.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.928 0.394 . . . . 0.0 110.946 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 26.2 m -144.43 105.21 4.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.338 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 12.0 mt -73.55 132.53 42.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.937 0.399 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 71.0 p -133.48 155.25 80.85 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.668 0.747 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -47.69 -31.99 15.64 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.788 2.326 . . . . 0.0 112.231 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -80.2 -31.42 38.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.929 0.395 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 155.96 176.12 27.73 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.582 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.88 141.64 45.27 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 34.1 mm -118.49 115.29 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -118.56 102.7 9.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.762 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 176' ' ' THR . 4.1 tp10 -131.49 155.25 47.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.135 0.493 . . . . 0.0 110.723 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.445 ' N ' ' HG3' ' A' ' 175' ' ' GLU . 6.2 m -87.07 140.55 29.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.15 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.57 HD21 ' CE ' ' A' ' 164' ' ' LYS . 78.2 mt -103.23 -43.2 5.52 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.719 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -138.53 142.51 39.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.114 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' ARG . . . . . 0.444 ' HG3' ' CG ' ' A' ' 161' ' ' GLU . 39.8 ttp180 -141.07 107.27 5.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.763 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.421 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 25.8 m-85 -99.82 97.74 8.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.829 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -99.24 129.41 45.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 14.2 mt -103.98 -57.76 1.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.817 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 45.4 t -69.86 155.28 40.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.735 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -92.67 35.64 1.03 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.025 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 8.8 m170 60.53 39.76 17.71 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . 0.474 ' CD2' ' N ' ' A' ' 186' ' ' HIS . 0.1 OUTLIER -45.81 167.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -117.29 157.85 25.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 8.6 m170 52.64 42.4 31.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -88.14 134.61 33.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.771 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.792 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.722 0.296 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 34.5 ttm-85 -88.96 76.21 7.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.698 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -82.85 151.67 25.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.075 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.506 ' O ' HD12 ' A' ' 162' ' ' LEU . 28.7 p90 -168.81 135.62 1.86 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.791 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.408 ' CG2' HD13 ' A' ' 162' ' ' LEU . 36.1 pt -85.04 147.42 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.504 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -140.1 163.22 33.29 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.148 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.76 HG21 HG22 ' A' ' 157' ' ' VAL . 55.0 mt -105.97 125.16 61.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.186 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.24 137.61 13.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.049 0.452 . . . . 0.0 110.677 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 10' ' ' SER . 2.8 m -117.15 85.87 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 9' ' ' VAL . 3.1 t -36.43 154.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.45 ' OE1' ' C ' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -42.39 -41.35 2.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.5 p -40.48 -41.67 1.47 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.736 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.489 HG21 ' CE1' ' A' ' 155' ' ' PHE . 76.2 t -85.22 -51.0 14.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.16 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.519 ' O ' HG23 ' A' ' 18' ' ' VAL . 98.3 mtt180 -47.91 -66.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.708 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -48.64 -39.58 24.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.74 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.94 -62.16 2.05 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 120.992 0.425 . . . . 0.0 111.194 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.9 mt -51.86 -42.75 62.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.994 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 14' ' ' ARG . 95.2 t -61.6 -40.59 87.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.203 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -52.4 -51.67 57.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.62 -52.01 63.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.117 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.615 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 42.8 mt-30 -45.53 -56.6 4.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -42.18 -43.68 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -72.82 -35.66 67.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.748 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' A' ' 21' ' ' GLN . 85.0 mt -61.57 -48.65 87.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.16 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.54 153.03 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.436 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.2 m -120.31 46.3 2.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.801 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.62 -55.61 3.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.439 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 2.0 pm0 -82.55 -44.09 16.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.018 0.437 . . . . 0.0 111.054 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.439 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -99.97 144.85 28.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.448 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 0.0 OUTLIER -96.56 87.29 4.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.734 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.691 HG12 HG22 ' A' ' 131' ' ' VAL . 45.5 mt -114.52 125.66 71.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -94.99 94.31 7.91 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.981 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.615 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 19.5 m-85 -59.63 176.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.578 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 21.2 t -120.18 149.58 22.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -43.07 160.22 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.444 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 61.8 mtt180 -71.46 -39.53 70.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -84.68 19.52 2.0 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.025 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.452 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 2.5 m-80 -125.19 12.52 8.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 28.2 m-85 -93.72 7.36 45.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.01 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.504 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 2.6 p-80 -56.95 126.53 27.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.933 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 70.1 mt -57.21 120.06 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.293 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.2 m -73.57 90.07 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -47.59 -62.3 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.533 ' HE2' HD12 ' A' ' 111' ' ' LEU . 34.5 tttp -142.93 149.03 37.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.459 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 51.9 t80 -96.2 136.41 36.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.062 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.765 ' HB3' HD11 ' A' ' 49' ' ' ILE . 15.2 mt -107.14 -57.67 2.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.828 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.51 -135.93 12.43 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.652 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -71.02 130.26 41.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.84 0.353 . . . . 0.0 111.082 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.765 HD11 ' HB3' ' A' ' 46' ' ' LEU . 17.9 mt -150.25 147.49 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 74.1 p -99.8 142.67 30.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -50.12 -28.99 8.13 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.744 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -70.31 -36.4 74.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -85.99 -28.84 23.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.15 -57.94 3.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.035 0.445 . . . . 0.0 111.203 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -44.35 -36.43 2.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.81 ' OE2' HD11 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -58.98 -63.19 1.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.878 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.747 ' H ' HD12 ' A' ' 57' ' ' ILE . 3.2 mp -37.32 -60.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.485 ' HE2' ' HB2' ' A' ' 178' ' ' ALA . 87.4 mttt -33.9 -69.67 0.09 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.066 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -42.64 -54.65 3.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.909 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.81 HD11 ' OE2' ' A' ' 56' ' ' GLU . 76.5 mt -43.89 -44.97 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.045 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.2 mt -71.13 -42.88 68.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.986 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -45.89 -57.25 4.5 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.452 ' HB3' ' NZ ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -64.54 -45.88 85.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 66' ' ' LYS . 59.8 mt -58.73 -71.25 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -41.98 -24.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 64' ' ' ILE . 16.6 tppt? -82.04 -52.19 7.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -61.54 -12.32 14.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.007 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.531 ' CG ' HG12 ' A' ' 103' ' ' ILE . 52.2 m-85 -108.11 159.85 16.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.97 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.9 -178.39 3.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.049 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.7 pttm -118.51 112.76 20.33 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.859 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -96.79 174.46 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.981 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -108.22 100.65 9.94 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.8 m -103.32 171.08 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.433 ' HB3' ' CD ' ' A' ' 95' ' ' GLU . 9.3 t-20 -124.48 166.29 16.27 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 75' ' ' VAL . 1.4 p -125.74 92.56 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -139.92 133.65 30.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.48 142.33 9.58 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.447 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.3 mt -136.03 142.01 40.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.851 0.358 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.95 163.88 16.15 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.442 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.532 HG11 HD21 ' A' ' 144' ' ' LEU . 27.4 m -133.63 161.27 41.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.803 0.335 . . . . 0.0 111.23 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.692 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 13.1 m-85 -144.5 147.59 36.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.596 0.713 . . . . 0.0 110.801 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.1 Cg_endo -69.72 -35.28 2.75 Favored 'Cis proline' 0 C--N 1.34 0.101 0 C-N-CA 122.803 -1.749 . . . . 0.0 112.307 0.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -152.5 158.86 33.25 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.718 0.77 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.417 ' HA ' HG21 ' A' ' 80' ' ' VAL . 66.4 Cg_exo -47.92 -52.17 8.66 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.61 2.207 . . . . 0.0 112.306 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -43.12 -40.71 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.818 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -133.4 82.37 1.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.126 0.489 . . . . 0.0 110.931 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 82.9 t -74.88 128.97 37.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -122.28 -37.97 2.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.5 t -132.46 119.42 38.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.983 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 67.9 mt -87.19 129.22 39.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.331 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.692 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 40.4 p-90 -145.57 142.89 29.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.67 165.91 12.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -125.4 149.97 17.24 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.589 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 96.6 t -109.12 145.12 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.026 0.441 . . . . 0.0 110.884 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.521 ' O ' ' C ' ' A' ' 96' ' ' ASN . 3.9 pt-20 -71.93 -175.84 1.55 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.727 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.521 ' C ' ' O ' ' A' ' 95' ' ' GLU . 2.2 t30 -27.58 103.48 0.02 OUTLIER 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.946 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -118.69 43.82 2.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.81 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -45.67 -66.18 0.44 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.778 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.405 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 41.0 mm -43.56 -65.25 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.15 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.6 mt -47.75 -30.37 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.244 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.5 ttpp -74.11 -65.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 99' ' ' ILE . 0.6 OUTLIER -44.42 -41.44 6.22 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.0 179.808 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.531 HG12 ' CG ' ' A' ' 68' ' ' TYR . 72.0 mt -65.28 -46.24 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.029 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.86 -41.75 64.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.989 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -68.79 -38.28 79.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -63.88 -46.72 83.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 41.2 mt -55.26 -38.69 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.428 ' OD2' ' NZ ' ' A' ' 44' ' ' LYS . 10.0 t0 -77.92 -34.73 51.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.935 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -47.46 -45.65 26.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.974 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -75.99 -51.83 11.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.049 0.452 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.732 HD23 HD12 ' A' ' 114' ' ' LEU . 25.0 mt -47.39 -41.49 20.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.04 -36.07 0.44 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.014 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -71.09 -37.95 72.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.732 HD12 HD23 ' A' ' 111' ' ' LEU . 39.4 mt -70.09 -28.12 65.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 119.27 56.64 0.26 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.428 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.441 ' CZ ' HD22 ' A' ' 111' ' ' LEU . 8.6 m-85 -122.93 168.09 12.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.974 0.416 . . . . 0.0 110.842 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -93.24 142.61 27.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -108.81 131.35 55.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.968 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -99.82 127.32 45.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -54.63 -69.02 1.38 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.533 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.14 139.54 33.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.794 0.33 . . . . 0.0 110.95 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.566 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 1.0 OUTLIER -98.98 138.49 36.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.003 179.777 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 18.2 t -132.26 122.01 47.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.218 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.25 99.91 11.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.094 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -135.2 164.9 26.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.98 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.603 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.5 mp -134.6 109.66 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.388 . . . . 0.0 111.122 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 88.0 m -66.95 113.88 5.32 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.018 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' ' 34' ' ' VAL . 65.4 mt -79.6 -36.82 37.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 174.08 169.03 35.79 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.466 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -108.05 152.71 24.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.795 0.331 . . . . 0.0 110.775 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.691 HG22 HG12 ' A' ' 31' ' ' ILE . 60.9 t -101.92 114.21 40.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.936 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -80.85 -54.56 5.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.803 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.448 ' CE2' ' HG3' ' A' ' 30' ' ' LYS . 7.0 p90 -161.31 138.9 9.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.501 HG22 ' N ' ' A' ' 135' ' ' LYS . 2.7 p -136.73 158.12 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.19 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.501 ' N ' HG22 ' A' ' 134' ' ' VAL . 31.9 mmtt -112.05 -45.44 3.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.822 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -71.46 112.33 7.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.044 0.45 . . . . 0.0 110.811 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -75.52 -58.67 3.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.077 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.437 ' C ' ' HG3' ' A' ' 142' ' ' MET . 25.0 mt -48.68 -54.54 14.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.704 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 138' ' ' LEU . . . -37.79 -39.36 0.6 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.627 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.416 HD21 HG11 ' A' ' 134' ' ' VAL . 58.7 mt -53.68 -50.83 64.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.485 ' HA ' HD12 ' A' ' 144' ' ' LEU . . . -81.06 -56.0 4.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.96 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.437 ' HG3' ' C ' ' A' ' 138' ' ' LEU . 2.1 mtt -39.99 -28.64 0.06 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.061 0.458 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 141' ' ' ALA . 6.8 ttmt -83.82 -53.78 5.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.993 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.532 HD21 HG11 ' A' ' 80' ' ' VAL . 46.6 mt -40.82 -47.59 2.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.987 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -41.17 69.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.671 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.448 ' C ' HD12 ' A' ' 147' ' ' LEU . 18.3 mm-40 -75.44 -31.71 60.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.448 HD12 ' C ' ' A' ' 146' ' ' GLU . 7.2 mp -112.56 32.72 5.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 144' ' ' LEU . . . -86.92 -46.27 10.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.31 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -134.03 27.98 3.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.763 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.597 ' OE2' ' CE2' ' A' ' 152' ' ' PHE . 0.0 OUTLIER -61.26 142.86 56.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -85.26 144.88 27.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.597 ' CE2' ' OE2' ' A' ' 150' ' ' GLU . 42.8 m-85 -125.89 -32.83 2.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . 0.411 ' O ' ' ND2' ' A' ' 74' ' ' ASN . . . 137.08 -173.55 22.13 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.548 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 32.1 p -138.44 166.16 24.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.789 0.328 . . . . 0.0 111.035 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . 0.489 ' CE1' HG21 ' A' ' 13' ' ' VAL . 53.8 p90 -166.25 166.29 16.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.767 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 92.3 mt -113.36 120.96 64.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.76 HG22 HG21 ' A' ' 7' ' ' ILE . 96.1 t -68.11 94.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.629 ' HB3' HD12 ' A' ' 182' ' ' LEU . 13.6 mt-10 -90.85 -72.67 0.56 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.108 0.48 . . . . 0.0 110.8 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.819 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -97.31 166.81 11.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 161' ' ' GLU . 97.1 mt -116.43 158.84 16.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.528 ' N ' HG22 ' A' ' 160' ' ' ILE . 0.7 OUTLIER -141.79 125.39 16.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.927 179.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.506 HD12 ' O ' ' A' ' 4' ' ' PHE . 17.8 tp -108.0 131.27 54.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.037 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -122.38 154.85 37.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.843 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -117.84 129.57 55.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.904 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 28.7 t -113.61 126.72 55.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.105 0.478 . . . . 0.0 110.772 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 79.8 m -134.23 105.29 6.56 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.179 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 10.1 mt -70.34 134.46 47.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 68.4 p -139.76 155.41 71.33 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.697 0.761 . . . . 0.0 111.089 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -48.24 -31.75 17.77 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.613 2.208 . . . . 0.0 112.447 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -27.75 38.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.977 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 152.95 174.07 22.96 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.554 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.9 127.78 14.97 Favored 'Trans proline' 0 C--N 1.34 0.118 0 C-N-CA 122.532 2.154 . . . . 0.0 112.496 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 28.4 mm -99.08 143.05 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.986 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -140.89 130.2 23.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.805 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -157.37 139.29 14.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.784 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.429 HG21 ' HG3' ' A' ' 179' ' ' ARG . 96.5 m -70.69 147.25 49.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.01 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 20.9 mt -114.68 -40.31 3.59 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.485 ' HB2' ' HE2' ' A' ' 58' ' ' LYS . . . -142.97 145.43 32.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.121 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' ARG . . . . . 0.429 ' HG3' HG21 ' A' ' 176' ' ' THR . 18.7 mtt-85 -137.68 105.84 5.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.001 0.429 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.819 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 15.7 m-85 -103.47 97.83 7.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -100.12 129.44 46.15 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.629 HD12 ' HB3' ' A' ' 158' ' ' GLU . 82.0 mt -73.22 -66.64 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.877 0.37 . . . . 0.0 110.971 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 18.8 m -148.55 143.9 26.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.743 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.19 40.2 0.75 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.057 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -51.21 153.68 1.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -49.48 115.06 1.19 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.844 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.428 ' O ' ' CD2' ' A' ' 187' ' ' HIS . 15.9 p-80 -144.35 129.15 18.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.823 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 49.88 41.27 22.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.54 ' O ' ' CG ' ' A' ' 189' ' ' HIS . 17.9 p-80 -55.13 105.93 0.2 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.001 0.429 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 121.101 0.477 . . . . 0.0 110.868 179.933 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ptt? . . . . . 0 C--O 1.234 0.251 0 CA-C-O 120.764 0.316 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 2' ' ' ARG . 3.6 ptm180 -97.33 83.78 3.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.805 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.562 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -72.41 151.64 42.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.197 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -162.16 143.16 10.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.937 HG22 HD13 ' A' ' 162' ' ' LEU . 12.1 pt -104.0 140.15 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.999 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -136.38 171.23 14.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.978 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.1 mt -107.08 116.61 51.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.045 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.01 129.88 4.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.823 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 9' ' ' VAL . 5.7 m -108.4 91.0 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.059 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.8 t -43.98 167.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.815 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -51.36 -42.93 61.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.2 p -43.55 -30.17 0.56 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.1 t -97.75 -50.57 11.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.73 ' O ' HG23 ' A' ' 18' ' ' VAL . 60.9 mtt180 -48.6 -54.44 14.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.784 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -65.11 -34.88 79.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.968 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.8 -65.99 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 69.5 mt -53.97 -50.31 66.82 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.96 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 14' ' ' ARG . 94.3 t -51.31 -43.07 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.151 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -49.19 -45.37 44.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.03 -48.99 77.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.21 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.637 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 59.6 mt-30 -45.38 -58.68 3.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.031 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -40.69 -35.5 0.49 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.038 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -80.32 -44.44 19.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.059 0.457 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.0 mt -51.69 -67.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.281 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.87 168.92 6.92 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.5 t -130.16 47.17 2.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -75.12 -62.69 1.47 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.456 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 2.9 pm0 -87.13 -39.43 15.55 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.456 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -100.95 152.14 20.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.437 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 24.8 mmmt -108.63 109.65 20.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.847 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.748 HG12 HG22 ' A' ' 131' ' ' VAL . 37.1 mt -134.12 126.46 49.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -90.29 98.66 11.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.925 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.637 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 18.4 m-85 -60.56 -179.07 0.11 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.995 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.537 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 49.2 t -129.66 140.15 49.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 34' ' ' VAL . 50.1 mm-40 -36.35 154.22 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.474 ' HA ' ' CD2' ' A' ' 39' ' ' PHE . 79.1 mtt180 -66.56 -46.24 76.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -76.13 7.79 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.015 0.436 . . . . 0.0 110.994 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.536 ' HB2' HG12 ' A' ' 34' ' ' VAL . 1.4 m-80 -111.73 6.51 19.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.823 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.537 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 20.4 m-85 -86.62 7.37 26.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.994 0.426 . . . . 0.0 110.996 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.494 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 2.5 p-80 -51.9 132.3 31.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.734 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.7 mt -70.24 113.84 6.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.215 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.1 m -64.92 101.73 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.285 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 43' ' ' LEU . 5.0 tt -76.54 -48.52 19.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.613 ' NZ ' HD11 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -150.91 134.77 16.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.797 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -99.22 150.87 21.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.877 ' HB3' HD11 ' A' ' 49' ' ' ILE . 14.2 mt -117.08 -63.37 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.002 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.85 -138.99 14.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.505 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' C ' HG13 ' A' ' 49' ' ' ILE . 29.7 tt0 -66.63 127.23 31.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.965 0.412 . . . . 0.0 110.848 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.877 HD11 ' HB3' ' A' ' 46' ' ' LEU . 10.0 mt -152.49 147.8 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.4 p -94.73 143.49 26.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -42.83 -27.04 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -82.26 -50.73 8.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.705 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.591 ' O ' HD12 ' A' ' 57' ' ' ILE . 15.1 mm100 -62.79 -29.04 70.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.01 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.55 -61.03 1.7 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.975 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -52.07 -35.81 48.65 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -51.54 -35.06 39.24 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.791 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.3 mp -80.18 -56.94 5.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.186 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' ILE . 81.5 mttt -36.27 -60.2 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -45.33 -43.42 10.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 57' ' ' ILE . 56.9 mt -58.08 -38.73 69.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.07 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 27.4 mt -70.3 -33.58 71.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -55.87 -54.34 45.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -61.02 -50.7 72.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.981 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.48 ' CD1' ' HA ' ' A' ' 107' ' ' ILE . 19.5 mt -57.57 -66.66 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.146 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -44.74 -20.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 64' ' ' ILE . 6.5 ttmt -88.58 -46.56 8.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -65.55 -11.85 47.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.972 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.549 ' CD2' HG12 ' A' ' 103' ' ' ILE . 43.5 m-85 -106.61 162.99 13.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.99 173.79 6.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.987 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -85.32 110.34 19.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.458 ' CD2' ' H ' ' A' ' 72' ' ' GLU . 10.9 t-160 -98.78 163.47 12.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.838 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.458 ' H ' ' CD2' ' A' ' 71' ' ' HIS . 24.5 tt0 -114.21 110.05 19.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.018 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.4 m -115.82 169.26 6.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.056 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -121.33 161.79 21.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.536 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.9 p -123.8 106.96 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 25.5 ttm180 -156.7 147.76 22.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.907 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.404 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 98.84 145.67 19.05 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.47 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.446 HG23 ' O ' ' A' ' 91' ' ' TRP . 50.3 mt -142.63 137.29 28.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 111.209 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -118.57 168.35 13.2 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.9 m -136.0 164.85 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.018 0.437 . . . . 0.0 111.08 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.568 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 11.8 m-85 -149.22 153.27 37.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.722 0.773 . . . . 0.0 110.888 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.9 Cg_endo -69.86 -21.61 10.22 Favored 'Cis proline' 0 C--N 1.344 0.324 0 C-N-CA 122.598 -1.834 . . . . 0.0 112.435 0.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.447 ' CG ' ' C ' ' A' ' 82' ' ' PRO . 0.3 OUTLIER -163.36 159.37 18.04 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.701 0.762 . . . . 0.0 110.901 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.73 -64.33 0.25 Allowed 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.702 2.268 . . . . 0.0 112.409 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -39.33 -36.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.041 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -131.5 91.38 3.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 71.7 t -82.55 134.53 26.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.217 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -128.68 -38.29 1.71 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.762 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.689 HG22 ' HG2' ' A' ' 130' ' ' ARG . 89.3 t -135.97 119.27 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.421 ' CD1' HD13 ' A' ' 31' ' ' ILE . 64.8 mt -88.09 128.07 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.974 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.568 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 49.2 p-90 -144.89 143.62 30.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.959 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.53 166.32 12.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.076 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.2 147.93 16.66 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.519 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.8 t -99.55 142.79 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.937 0.398 . . . . 0.0 111.092 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.504 ' O ' ' C ' ' A' ' 96' ' ' ASN . 15.2 mt-10 -70.87 -176.35 1.32 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.504 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.3 p-10 -30.0 100.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.522 ' HB2' HD12 ' A' ' 100' ' ' ILE . 3.4 p30 -124.87 50.4 1.75 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.937 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -54.34 -62.99 1.3 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.558 HD13 ' HE3' ' A' ' 102' ' ' LYS . 29.1 mm -42.48 -56.46 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.991 0.424 . . . . 0.0 111.249 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.522 HD12 ' HB2' ' A' ' 97' ' ' ASP . 82.0 mt -50.74 -35.39 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.018 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -68.93 -60.45 2.36 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.984 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.558 ' HE3' HD13 ' A' ' 99' ' ' ILE . 12.2 ptpt -51.61 -39.9 58.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.068 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.568 HG22 ' CD1' ' A' ' 107' ' ' ILE . 60.1 mt -66.36 -50.3 68.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.019 0.437 . . . . 0.0 111.144 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.25 -45.94 72.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.122 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -61.98 -47.97 82.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -65.04 -25.33 67.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.005 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.568 ' CD1' HG22 ' A' ' 103' ' ' ILE . 62.1 mt -75.57 -44.48 40.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.239 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -76.7 -32.64 58.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.825 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -53.75 -43.94 69.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.027 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -67.91 -47.87 67.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.724 HD23 HD12 ' A' ' 114' ' ' LEU . 33.7 mt -56.33 -40.33 74.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -38.52 -35.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.961 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -70.89 -42.8 69.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.737 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.724 HD12 HD23 ' A' ' 111' ' ' LEU . 28.7 mt -64.95 -19.07 65.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.97 0.414 . . . . 0.0 111.064 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 108.3 55.75 0.59 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.58 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -124.53 170.96 10.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.002 0.429 . . . . 0.0 110.784 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -85.71 147.8 26.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.051 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -119.16 127.22 53.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -97.89 107.14 19.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -46.33 -76.72 0.12 Allowed Glycine 0 C--O 1.228 -0.252 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.459 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.71 113.38 24.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.669 0.271 . . . . 0.0 111.057 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -89.29 145.44 25.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.022 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 62.3 t -142.35 115.87 4.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.266 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.84 107.41 9.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.157 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -141.4 166.84 23.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.56 ' N ' HD12 ' A' ' 126' ' ' ILE . 1.7 mp -138.49 107.92 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.011 0.434 . . . . 0.0 111.164 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 84.3 m -66.57 118.89 10.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.048 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 74.1 mt -83.32 -30.71 27.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.083 0.468 . . . . 0.0 111.055 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 165.52 161.27 14.15 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.689 ' HG2' HG22 ' A' ' 89' ' ' VAL . 31.8 mtp180 -97.74 155.41 17.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.076 0.465 . . . . 0.0 110.746 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.748 HG22 HG12 ' A' ' 31' ' ' ILE . 94.7 t -101.52 124.26 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -84.27 -60.18 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.771 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.494 ' O ' ' CD1' ' A' ' 133' ' ' PHE . 4.7 p90 -164.01 132.01 3.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.038 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.417 HG11 HD11 ' A' ' 140' ' ' LEU . 1.8 p -127.18 153.13 36.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.092 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.401 ' N ' ' CG2' ' A' ' 134' ' ' VAL . 54.2 tttm -107.51 -42.0 4.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -85.31 96.33 9.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 138' ' ' LEU . 35.7 mttp -64.62 -67.37 0.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 137' ' ' LYS . 48.6 mt -34.91 -45.07 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.815 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -48.63 -47.08 30.29 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.495 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.417 HD11 HG11 ' A' ' 134' ' ' VAL . 48.9 mt -49.43 -60.34 2.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.765 0.317 . . . . 0.0 110.821 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.84 -60.98 2.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.109 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 7.6 mmt -40.38 -32.31 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -81.55 -52.02 7.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.974 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 58.6 mt -40.78 -48.72 3.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.187 0.517 . . . . 0.0 110.921 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -49.47 -43.77 45.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.85 -38.68 91.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.755 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.5 mp -100.31 33.84 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.009 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -96.64 -39.83 9.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.186 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 150' ' ' GLU . 70.9 m-20 -110.01 -26.71 9.58 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 149' ' ' ASN . 3.5 tp10 -34.67 110.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.102 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 153' ' ' GLY . 7.8 t70 -73.3 152.47 40.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.536 ' HB2' HG13 ' A' ' 75' ' ' VAL . 48.8 m-85 -115.6 -29.94 6.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.799 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' A' ' 151' ' ' ASP . . . 132.99 -165.54 23.93 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.421 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 14.9 p -146.86 167.02 24.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 0.0 110.945 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -164.67 165.52 20.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.711 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 71' ' ' HIS . 49.0 mt -111.66 127.83 68.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.073 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 47.5 t -71.21 104.2 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.492 ' HB3' HD12 ' A' ' 182' ' ' LEU . 9.6 mt-10 -100.21 -72.17 0.68 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.991 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.803 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -101.46 171.47 7.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.072 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 95.8 mt -121.31 145.37 27.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.078 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -120.06 127.02 52.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.937 HD13 HG22 ' A' ' 5' ' ' ILE . 33.0 tp -114.13 105.53 13.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -111.59 161.29 16.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.125 0.488 . . . . 0.0 110.86 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.44 ' HZ3' HD11 ' A' ' 177' ' ' LEU . 2.2 tmmm? -133.13 152.44 51.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.737 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.536 ' OG ' ' CE1' ' A' ' 174' ' ' TYR . 1.4 m -116.7 142.55 46.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.794 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 65.8 m -134.88 98.81 4.12 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.29 131.04 45.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 30.5 p -138.37 155.6 73.88 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.244 0.545 . . . . 0.0 111.339 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -48.09 -33.75 21.78 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.85 2.367 . . . . 0.0 112.206 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -22.99 42.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.012 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 146.79 172.02 16.65 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.286 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.78 130.48 19.39 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.586 2.191 . . . . 0.0 112.398 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 32.6 mm -105.04 142.39 18.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.025 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . 0.536 ' CE1' ' OG ' ' A' ' 165' ' ' SER . 4.6 m-85 -127.54 120.98 29.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.107 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -143.45 151.7 40.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.834 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.412 HG21 ' CG ' ' A' ' 179' ' ' ARG . 21.2 m -86.18 148.25 25.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.44 HD11 ' HZ3' ' A' ' 164' ' ' LYS . 19.9 mt -116.06 -45.96 2.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.848 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.624 ' HB3' HD23 ' A' ' 162' ' ' LEU . . . -141.45 137.96 32.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.015 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' ARG . . . . . 0.412 ' CG ' HG21 ' A' ' 176' ' ' THR . 0.0 OUTLIER -129.54 109.76 11.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.843 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.803 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 2.2 m-85 -93.27 97.57 10.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -101.1 129.08 46.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.772 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.492 HD12 ' HB3' ' A' ' 158' ' ' GLU . 80.2 mt -70.13 -60.5 2.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.078 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 8.4 t -142.58 178.31 7.7 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.727 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -61.13 149.75 36.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -147.93 107.83 4.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.993 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.79 85.11 0.03 OUTLIER 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.016 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.424 ' O ' ' CG ' ' A' ' 187' ' ' HIS . 6.3 p80 -97.53 122.42 40.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 25.7 p-80 -141.93 149.14 39.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.912 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' A' ' 189' ' ' HIS . 9.9 p80 -156.29 114.67 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.65 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.911 179.826 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ptt? . . . . . 0 C--O 1.234 0.272 0 CA-C-O 120.516 0.198 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.457 ' CG ' ' HB3' ' A' ' 165' ' ' SER . 10.1 ptp180 -98.26 86.59 3.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.744 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.811 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -78.89 160.65 27.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.958 0.409 . . . . 0.0 111.043 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.518 ' O ' HD12 ' A' ' 162' ' ' LEU . 39.7 p90 -170.65 143.61 2.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.679 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.2 pt -95.95 138.23 21.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.328 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -137.45 163.28 31.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.276 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.1 HG21 HG22 ' A' ' 157' ' ' VAL . 65.5 mt -104.16 125.24 58.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -49.33 144.48 5.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.955 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.446 HG23 ' HG3' ' A' ' 14' ' ' ARG . 4.8 m -118.5 90.18 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.23 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 m -38.34 154.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 12' ' ' SER . 6.5 mm-40 -42.86 -52.25 5.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.718 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 11' ' ' GLU . 13.9 t -34.52 -49.5 0.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.037 0.446 . . . . 0.0 110.693 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.598 HG21 ' CE2' ' A' ' 155' ' ' PHE . 87.2 t -75.62 -53.78 15.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.028 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.612 ' O ' HG23 ' A' ' 18' ' ' VAL . 57.7 mtt180 -43.11 -54.33 4.45 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -68.83 -31.98 71.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.3 -55.24 36.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.052 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.72 HD23 ' CE1' ' A' ' 152' ' ' PHE . 84.7 mt -63.49 -49.55 73.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.75 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 14' ' ' ARG . 93.6 t -55.13 -40.74 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.262 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -49.68 -46.03 49.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.439 ' HB1' ' CD2' ' A' ' 147' ' ' LEU . . . -62.17 -50.51 71.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.687 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 50.8 mt-30 -46.29 -55.51 7.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.999 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.71 -47.28 10.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.725 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -66.13 -37.56 85.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.948 0.404 . . . . 0.0 110.974 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.767 HG23 ' HD3' ' A' ' 143' ' ' LYS . 86.1 mt -63.17 -60.7 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.091 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.34 173.76 8.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.382 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.7 p -134.46 48.28 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.357 . . . . 0.0 110.915 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -74.23 -57.45 3.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.0 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.04 -42.22 10.64 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.753 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.29 147.57 25.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HG3' ' CE2' ' A' ' 133' ' ' PHE . 6.0 tmtm? -103.09 103.2 13.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.986 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.552 HG12 HG22 ' A' ' 131' ' ' VAL . 34.1 mt -123.5 119.4 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.081 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -87.57 81.78 7.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.737 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.687 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 16.6 m-85 -56.26 173.31 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.601 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 85.0 t -105.05 145.73 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.403 ' HB2' ' OD1' ' A' ' 38' ' ' ASN . 5.7 mm-40 -49.13 176.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.521 ' HA ' ' CD2' ' A' ' 39' ' ' PHE . 46.1 mtt180 -82.2 -41.13 20.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -81.93 18.49 1.3 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.815 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.484 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -135.05 22.81 3.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.869 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.601 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 11.3 m-85 -96.24 10.69 37.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -56.26 149.91 15.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.713 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.1 mt -86.84 112.43 23.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.204 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.0 m -64.79 97.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.056 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.408 HD12 HD11 ' A' ' 7' ' ' ILE . 5.4 tt -68.44 -46.64 69.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.462 ' NZ ' HD21 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -157.17 129.91 7.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.879 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -93.2 139.72 30.3 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.787 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.56 ' CB ' HD11 ' A' ' 49' ' ' ILE . 81.4 mt -103.63 -63.08 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.957 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.37 -132.39 11.01 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.503 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.33 120.17 12.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.94 0.4 . . . . 0.0 110.949 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.811 HD12 ' HB3' ' A' ' 3' ' ' ALA . 26.1 mt -137.78 152.6 26.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.142 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 51' ' ' GLU . 21.3 p -105.18 138.85 40.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 50' ' ' THR . 5.2 mp0 -34.08 -37.96 0.05 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.988 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' THR . 21.3 mt-10 -69.81 -66.32 0.61 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 56' ' ' GLU . 79.6 mm-40 -43.19 -39.51 2.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.07 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -39.22 -61.93 0.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.02 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 56' ' ' GLU . 2.8 pt-20 -56.62 -26.83 56.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.762 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 53' ' ' GLN . 6.5 tp10 -61.39 -55.95 25.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.735 ' H ' HD12 ' A' ' 57' ' ' ILE . 4.1 mp -54.92 -59.79 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.1 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.723 ' HE2' ' HB2' ' A' ' 178' ' ' ALA . 8.3 mtpm? -35.97 -56.84 0.71 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.204 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -45.43 -50.11 12.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 57.7 mt -59.08 -51.53 71.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.169 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 58' ' ' LYS . 42.0 mt -51.11 -30.77 17.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.892 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -74.73 -32.2 62.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.788 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 45.7 mttt -78.3 -28.84 47.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.77 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.478 ' HA ' ' CD ' ' A' ' 67' ' ' LYS . 90.2 mt -87.67 -54.95 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.497 ' HB2' HD12 ' A' ' 160' ' ' ILE . . . -48.31 -20.25 0.37 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.005 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.48 -25.96 14.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.816 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.478 ' CD ' ' HA ' ' A' ' 64' ' ' ILE . 1.5 ptmt -78.77 -18.67 53.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.454 ' CD2' HG12 ' A' ' 103' ' ' ILE . 39.7 m-85 -106.99 157.5 17.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.76 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -99.46 175.05 5.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.012 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.48 ' HB3' ' CG2' ' A' ' 156' ' ' ILE . 7.5 mptt -97.71 108.75 21.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.862 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.668 ' O ' HG23 ' A' ' 156' ' ' ILE . 5.5 t60 -98.6 164.4 12.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -107.35 123.13 47.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.2 m -128.28 165.51 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 153' ' ' GLY . 9.2 t-20 -118.64 162.79 17.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.911 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.802 HG13 ' HB2' ' A' ' 152' ' ' PHE . 1.5 p -124.03 112.05 31.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.472 ' HG2' ' N ' ' A' ' 77' ' ' GLY . 17.9 ttp180 -157.19 150.82 24.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.725 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.472 ' N ' ' HG2' ' A' ' 76' ' ' ARG . . . 94.28 151.04 27.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.648 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.8 mt -142.58 129.41 18.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.695 0.283 . . . . 0.0 111.272 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.54 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -107.32 156.19 16.03 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.591 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.9 m -126.26 163.0 29.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.819 0.342 . . . . 0.0 111.265 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.565 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 10.2 m-85 -149.52 152.0 34.41 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.674 0.749 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 53.1 Cg_endo -69.92 -20.07 11.11 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.28 0.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -168.4 162.94 8.66 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.602 0.715 . . . . 0.0 110.957 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -47.83 -62.04 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.749 2.299 . . . . 0.0 112.248 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.44 ' ND2' ' HB2' ' A' ' 86' ' ' TYR . 1.6 p-10 -38.86 -37.43 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.815 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.44 ' HB2' ' ND2' ' A' ' 85' ' ' ASN . 5.4 t80 -133.8 95.84 3.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.086 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 63.9 t -89.71 128.7 41.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -125.55 -42.3 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.013 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 58.3 t -125.96 120.41 57.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.092 0.472 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 70.3 mt -91.81 121.61 42.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.027 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.565 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 39.1 p-90 -135.17 141.73 45.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.926 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.23 162.34 15.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.869 0.366 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.98 138.25 11.26 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.508 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 97.0 t -93.82 149.94 4.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.743 0.306 . . . . 0.0 111.214 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.523 ' O ' ' C ' ' A' ' 96' ' ' ASN . 23.0 mt-10 -71.81 -176.05 1.56 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.097 0.475 . . . . 0.0 110.668 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.523 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.1 p30 -27.07 114.81 0.07 Allowed 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.834 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.505 ' HB2' HD12 ' A' ' 100' ' ' ILE . 3.6 p-10 -131.17 37.14 3.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -47.5 -63.22 1.11 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.783 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 47.9 mm -45.87 -45.28 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.505 HD12 ' HB2' ' A' ' 97' ' ' ASP . 54.4 mt -59.64 -42.6 88.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.923 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.564 ' HG2' ' CD1' ' A' ' 122' ' ' PHE . 5.9 mtmp? -56.27 -56.76 17.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -45.74 -55.94 5.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.949 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.821 HG22 ' CD1' ' A' ' 107' ' ' ILE . 63.6 mt -54.17 -50.65 53.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.368 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.57 -32.72 59.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.996 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -78.07 -47.52 18.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.909 0.385 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -60.94 -50.98 71.21 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.004 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.821 ' CD1' HG22 ' A' ' 103' ' ' ILE . 60.6 mt -50.87 -47.74 29.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.218 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 111' ' ' LEU . 8.0 t0 -68.32 -53.01 27.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.696 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 108' ' ' ASP . 10.2 t0 -34.77 -47.53 0.34 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.919 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -68.88 -41.49 78.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.68 HD23 HD12 ' A' ' 114' ' ' LEU . 71.5 mt -61.56 -41.12 96.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 111' ' ' LEU . . . -36.72 -39.87 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.961 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -67.72 -42.48 81.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.773 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.68 HD12 HD23 ' A' ' 111' ' ' LEU . 26.6 mt -64.86 -29.27 70.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.151 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 122.43 55.11 0.21 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.46 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.491 ' CD1' ' HB3' ' A' ' 111' ' ' LEU . 89.5 m-85 -131.32 151.38 51.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.115 0.483 . . . . 0.0 110.936 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.59 135.87 34.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.041 0.448 . . . . 0.0 110.728 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -110.4 142.09 42.57 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -98.27 124.48 42.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.44 -62.03 6.42 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.283 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -92.99 111.55 23.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.895 0.379 . . . . 0.0 110.983 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.564 ' CD1' ' HG2' ' A' ' 101' ' ' LYS . 1.1 t80 -88.84 139.25 30.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.037 0.446 . . . . 0.0 110.88 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 34.7 t -136.21 115.35 16.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.067 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.23 106.49 11.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.975 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.44 ' C ' HD12 ' A' ' 126' ' ' ILE . 25.3 p-80 -140.96 161.55 37.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.521 ' N ' HD12 ' A' ' 126' ' ' ILE . 4.4 mp -131.93 103.63 7.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.174 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 91.0 m -55.29 109.42 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.13 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 51.2 mt -73.56 -39.8 64.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 176.72 -176.81 48.07 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.566 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 -125.92 146.29 49.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.552 HG22 HG12 ' A' ' 31' ' ' ILE . 87.0 t -91.79 127.19 44.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -95.02 -62.15 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.032 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.483 ' O ' ' CD1' ' A' ' 133' ' ' PHE . 7.5 p90 -149.81 132.31 15.73 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.845 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.607 HG21 HD21 ' A' ' 140' ' ' LEU . 3.0 p -133.34 150.78 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.411 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -110.95 -50.7 2.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -76.91 108.98 10.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 138' ' ' LEU . 3.2 mppt? -71.53 -63.94 1.02 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 137' ' ' LYS . 31.4 mt -37.41 -52.92 1.14 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -43.31 -42.39 5.52 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.512 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.607 HD21 HG21 ' A' ' 134' ' ' VAL . 69.5 mt -52.58 -63.67 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.769 0.318 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.577 ' HA ' HD12 ' A' ' 144' ' ' LEU . . . -61.44 -60.0 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.4 mmt -38.26 -38.25 0.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.767 ' HD3' HG23 ' A' ' 24' ' ' ILE . 3.5 ttmt -70.73 -59.04 3.04 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.823 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 141' ' ' ALA . 29.8 mt -38.9 -54.14 1.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.885 0.374 . . . . 0.0 110.746 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -50.66 -42.95 57.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.731 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.9 -37.41 87.56 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.04 0.448 . . . . 0.0 111.015 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.599 ' CD2' HD11 ' A' ' 24' ' ' ILE . 8.2 mp -107.43 39.47 1.89 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.986 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -99.01 -37.71 9.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.981 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 150' ' ' GLU . 33.7 m120 -108.1 -24.66 11.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.855 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 149' ' ' ASN . 8.0 tm-20 -34.97 121.8 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.06 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -87.66 153.46 21.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.802 ' HB2' HG13 ' A' ' 75' ' ' VAL . 81.8 m-85 -112.59 -33.57 6.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.816 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . 0.427 ' O ' ' ND2' ' A' ' 74' ' ' ASN . . . 136.9 -163.45 25.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.425 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.8 m -146.61 159.63 43.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . 0.598 ' CE2' HG21 ' A' ' 13' ' ' VAL . 34.1 p90 -165.49 169.78 15.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.668 HG23 ' O ' ' A' ' 71' ' ' HIS . 77.1 mt -112.6 130.02 67.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.056 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 1.1 HG22 HG21 ' A' ' 7' ' ' ILE . 55.4 t -84.13 99.9 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.108 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.465 ' C ' HD12 ' A' ' 182' ' ' LEU . 16.3 mp0 -98.79 -69.89 0.75 Allowed 'General case' 0 C--O 1.224 -0.255 0 CA-C-O 121.077 0.465 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.98 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -86.0 176.17 8.18 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.058 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . 0.497 HD12 ' HB2' ' A' ' 65' ' ' ALA . 66.9 mt -131.08 153.01 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.283 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.423 ' N ' HG22 ' A' ' 160' ' ' ILE . 1.2 tm-20 -129.43 127.72 41.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.815 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' ' 4' ' ' PHE . 35.5 tp -115.97 120.93 40.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.792 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -126.79 155.48 42.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.991 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.574 ' HD3' HD21 ' A' ' 177' ' ' LEU . 10.3 pttm -127.56 151.65 48.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.027 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.457 ' HB3' ' CG ' ' A' ' 2' ' ' ARG . 6.7 t -118.21 139.4 51.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.001 0.429 . . . . 0.0 110.64 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 88.1 m -135.14 100.95 4.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.237 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 18.4 mt -67.44 128.06 35.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 18.1 p -130.7 158.05 75.94 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.671 0.748 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -48.13 -31.47 16.59 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.782 2.321 . . . . 0.0 112.235 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.42 -33.65 36.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.962 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 159.35 176.67 31.67 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.673 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.53 121.91 8.65 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.716 2.277 . . . . 0.0 112.387 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 20.0 mm -97.39 137.8 24.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -128.54 114.97 17.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.048 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 176' ' ' THR . 9.7 tp10 -133.37 158.42 43.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.992 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.455 ' N ' ' HG3' ' A' ' 175' ' ' GLU . 18.8 m -91.71 146.49 23.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.026 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.574 HD21 ' HD3' ' A' ' 164' ' ' LYS . 34.4 mt -112.4 -42.82 3.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.087 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.723 ' HB2' ' HE2' ' A' ' 58' ' ' LYS . . . -140.75 141.36 34.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.203 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -136.3 105.11 5.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.984 0.421 . . . . 0.0 110.81 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.98 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 18.3 m-85 -110.18 99.14 8.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -98.01 136.56 38.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.465 HD12 ' C ' ' A' ' 158' ' ' GLU . 24.1 mt -115.79 -60.4 1.87 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.085 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 22.9 t -44.65 160.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.684 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -143.17 168.89 18.69 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.86 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -118.07 89.14 3.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.703 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -107.98 -58.22 2.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -120.2 83.01 1.98 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.796 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 189' ' ' HIS . 23.6 t60 -121.64 84.94 2.32 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.773 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 188' ' ' HIS . 6.9 m170 36.37 42.0 0.17 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.78 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.01 179.847 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.505 ' O ' ' CG ' ' A' ' 1' ' ' MET . 9.9 ttt . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.981 0.42 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.5 ttt85 -74.35 72.73 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.042 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.657 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -63.77 154.82 32.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.447 ' O ' HD12 ' A' ' 162' ' ' LEU . 27.7 p90 -167.16 134.25 2.37 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.735 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.748 HD11 ' HB3' ' A' ' 44' ' ' LYS . 26.1 pt -91.36 137.99 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -133.7 162.88 30.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.903 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.704 HG21 HG22 ' A' ' 157' ' ' VAL . 37.1 mt -106.74 134.33 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.91 130.84 47.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 10' ' ' SER . 3.2 m -111.27 89.31 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.953 0.406 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 9' ' ' VAL . 3.8 t -35.15 152.42 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -42.83 -37.88 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.807 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.2 t -41.67 -42.55 2.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.3 t -86.25 -54.91 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.21 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.688 ' O ' HG23 ' A' ' 18' ' ' VAL . 27.8 mtt180 -42.83 -53.22 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.836 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.7 -35.81 79.09 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.02 -68.82 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.957 0.408 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.0 mt -41.05 -45.46 2.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.956 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 14' ' ' ARG . 99.7 t -56.91 -36.94 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -54.78 -45.26 74.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.55 -48.01 81.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.158 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.53 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 46.7 mt-30 -51.29 -60.47 3.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -41.42 -39.17 1.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' CE2' ' HG2' ' A' ' 143' ' ' LYS . 47.9 t80 -71.27 -36.44 71.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' GLN . 39.0 mt -68.94 -58.81 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.17 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.75 162.88 0.23 Allowed Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.611 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.2 m -118.03 38.65 3.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.893 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.6 mttm -70.64 -53.23 16.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -98.46 -39.76 8.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.901 179.789 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.434 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -99.96 149.33 23.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -105.77 100.7 10.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.507 HG12 HG22 ' A' ' 131' ' ' VAL . 53.3 mt -123.59 117.63 51.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -80.43 79.25 7.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.841 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.53 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 12.1 m-85 -56.02 163.77 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.969 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 128' ' ' LEU . 50.9 t -105.15 148.78 9.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.237 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -41.1 163.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.795 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -76.28 -45.49 32.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 10.3 tt0 -73.77 3.99 5.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.786 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -111.57 20.5 17.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.093 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -93.31 7.86 42.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.704 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -55.21 143.31 28.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.9 mt -79.53 119.26 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.068 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.2 m -69.97 92.59 0.73 Allowed 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.039 0.447 . . . . 0.0 111.171 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.475 ' O ' ' CE1' ' A' ' 122' ' ' PHE . 5.4 tt -51.28 -53.73 32.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.748 ' HB3' HD11 ' A' ' 5' ' ' ILE . 30.7 tttm -153.46 147.33 25.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.128 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.425 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 46.3 t80 -99.85 140.05 34.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.987 0.423 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.8 mt -111.82 -64.52 1.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.49 -130.85 10.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.353 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.444 ' C ' HG13 ' A' ' 49' ' ' ILE . 16.2 mt-10 -74.05 136.87 43.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.709 0.29 . . . . 0.0 110.838 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.657 HD12 ' HB3' ' A' ' 3' ' ' ALA . 27.0 mt -149.2 155.55 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.428 ' N ' HG22 ' A' ' 49' ' ' ILE . 34.7 p -97.38 135.94 38.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.089 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -41.01 -26.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.963 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 50' ' ' THR . 21.5 mt-10 -79.15 -49.2 12.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.733 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.472 ' OE1' ' N ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -68.48 -24.9 64.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.87 0.367 . . . . 0.0 110.747 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.69 -55.82 8.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.337 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -58.97 -20.7 55.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.415 ' HG2' HD21 ' A' ' 114' ' ' LEU . 4.7 tp10 -71.07 -45.14 64.33 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.728 HG13 HD21 ' A' ' 111' ' ' LEU . 1.9 mp -56.42 -42.48 75.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.155 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -62.54 -71.68 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -35.53 -38.31 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.022 179.671 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.592 HG23 ' OE2' ' A' ' 110' ' ' GLU . 91.4 mt -66.22 -50.03 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 58' ' ' LYS . 25.3 mt -60.92 -32.43 71.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.951 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -54.33 -47.64 72.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -52.43 17.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.887 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.467 ' CD1' ' HA ' ' A' ' 107' ' ' ILE . 40.1 mt -51.18 -61.37 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.29 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.468 ' HB2' HD12 ' A' ' 160' ' ' ILE . . . -51.22 -16.32 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.083 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -97.48 -34.79 10.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.059 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -13.4 61.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.005 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.567 ' CD2' HG12 ' A' ' 103' ' ' ILE . 46.2 m-85 -106.83 155.4 19.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.044 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 172.06 8.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.751 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -86.79 100.15 12.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.787 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -91.86 155.53 18.13 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.84 112.79 23.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.748 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.6 m -113.98 165.01 9.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.086 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.474 ' O ' HG13 ' A' ' 94' ' ' VAL . 24.7 t-20 -115.1 152.53 32.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.742 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 75' ' ' VAL . 1.0 OUTLIER -112.48 98.4 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.048 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -143.01 155.61 44.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.045 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.49 137.2 3.1 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.547 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 91' ' ' TRP . 70.7 mt -135.51 136.5 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.931 0.396 . . . . 0.0 110.922 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.515 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -114.76 170.42 13.25 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.527 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.433 HG21 ' HA ' ' A' ' 84' ' ' PRO . 34.7 m -137.42 157.36 34.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 111.213 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.613 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 11.6 m-85 -137.99 153.32 73.43 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.502 0.668 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 52.9 Cg_endo -69.79 -28.79 6.08 Favored 'Cis proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.826 -1.739 . . . . 0.0 112.188 0.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -155.89 158.7 31.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.685 0.755 . . . . 0.0 111.032 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.433 ' HA ' HG21 ' A' ' 80' ' ' VAL . 62.3 Cg_exo -47.94 -55.68 3.79 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.621 2.214 . . . . 0.0 112.428 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -43.11 -40.5 3.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.772 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -131.22 90.31 2.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 74.8 t -79.46 131.86 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.179 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -127.31 -30.76 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.2 t -142.67 122.09 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.234 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 96.1 mt -89.07 128.29 41.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.613 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 19.5 p-90 -139.97 140.93 36.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.885 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.8 159.44 15.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.78 150.74 16.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.474 HG13 ' O ' ' A' ' 74' ' ' ASN . 90.4 t -109.13 146.72 14.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.877 0.37 . . . . 0.0 111.042 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.537 ' O ' ' C ' ' A' ' 96' ' ' ASN . 6.2 pt-20 -71.79 -175.71 1.46 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.537 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.9 OUTLIER -26.64 109.71 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.13 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.41 29.82 6.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.776 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -40.38 -61.93 0.84 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.815 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 11.3 mm -42.79 -47.65 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 58.9 mt -66.85 -34.53 70.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.215 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -61.98 -63.07 1.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.948 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -50.44 -29.54 10.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.567 HG12 ' CD2' ' A' ' 68' ' ' TYR . 65.5 mt -73.46 -44.69 53.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.194 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.08 -36.28 77.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.222 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -71.67 -42.73 67.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -60.42 -50.05 75.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.467 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 53.1 mt -51.49 -39.37 22.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.323 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.514 ' HA ' HD12 ' A' ' 111' ' ' LEU . 4.9 t70 -75.58 -49.32 18.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.949 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 108' ' ' ASP . 6.1 t0 -37.3 -32.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.021 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.592 ' OE2' HG23 ' A' ' 60' ' ' ILE . 3.3 mt-10 -82.99 -40.6 19.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.728 HD21 HG13 ' A' ' 57' ' ' ILE . 27.3 mt -64.73 -38.65 91.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.727 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -41.69 -31.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -78.32 -37.57 44.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.513 HD12 HD23 ' A' ' 111' ' ' LEU . 37.6 mt -72.41 -24.73 61.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.992 0.425 . . . . 0.0 110.839 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 116.98 62.13 0.32 Allowed Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.558 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.517 ' CD1' ' HB3' ' A' ' 111' ' ' LEU . 51.5 m-85 -131.3 172.23 12.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.976 0.417 . . . . 0.0 110.812 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.0 tttt -100.71 152.23 20.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.953 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -118.38 135.62 54.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.874 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -99.95 122.98 43.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.902 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.86 -67.39 2.24 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.41 124.05 44.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.969 0.414 . . . . 0.0 110.77 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.475 ' CE1' ' O ' ' A' ' 43' ' ' LEU . 87.0 t80 -98.35 146.11 26.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 97.7 t -141.2 113.62 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.213 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.78 102.54 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.188 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 26.1 p-80 -136.24 165.0 26.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.969 0.414 . . . . 0.0 110.748 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.597 ' N ' HD12 ' A' ' 126' ' ' ILE . 1.7 mp -136.16 107.35 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.096 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 94.1 m -62.76 109.53 1.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.291 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 34' ' ' VAL . 60.4 mt -72.37 -49.69 32.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -171.88 -179.23 42.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.528 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -122.48 146.55 47.28 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.884 0.373 . . . . 0.0 110.767 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.507 HG22 HG12 ' A' ' 31' ' ' ILE . 93.4 t -96.55 114.57 33.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.073 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.93 -50.02 6.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.79 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.555 ' O ' ' CD1' ' A' ' 133' ' ' PHE . 24.2 p90 -160.98 125.46 3.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.066 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.463 HG11 HD11 ' A' ' 140' ' ' LEU . 2.3 p -124.62 150.46 29.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.139 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -106.21 -49.85 3.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.033 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -88.3 93.75 9.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.732 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 138' ' ' LEU . 30.6 ttpt -61.95 -56.54 18.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.756 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.606 HD22 ' CE ' ' A' ' 142' ' ' MET . 30.1 mt -34.26 -49.55 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.761 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -44.83 -56.16 5.94 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.729 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.463 HD11 HG11 ' A' ' 134' ' ' VAL . 43.5 mt -41.7 -61.19 1.14 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.764 0.316 . . . . 0.0 111.001 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -61.91 -59.49 5.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.04 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.606 ' CE ' HD22 ' A' ' 138' ' ' LEU . 8.4 mmt -37.94 -36.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.791 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 146' ' ' GLU . 24.5 mtmt -83.23 -56.66 3.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.456 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 55.4 mt -37.29 -46.55 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.874 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -60.77 -39.93 90.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 143' ' ' LYS . 20.4 mm-40 -72.2 -44.03 63.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.752 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 3.8 mp -84.93 10.04 12.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.943 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 144' ' ' LEU . . . -80.38 -38.29 30.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -109.79 -20.0 12.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -47.54 112.16 0.51 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -74.19 150.28 40.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.676 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.446 ' HB2' HG13 ' A' ' 75' ' ' VAL . 76.4 m-85 -112.65 -22.17 10.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.029 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 123.47 -166.86 15.82 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.539 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.8 p -134.62 179.3 6.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.024 0.44 . . . . 0.0 110.746 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -174.85 157.04 2.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 8.1 mt -108.76 127.87 64.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.262 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.704 HG22 HG21 ' A' ' 7' ' ' ILE . 27.5 t -74.96 97.09 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.055 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.565 ' O ' HD11 ' A' ' 182' ' ' LEU . 42.8 mt-10 -97.07 -70.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -98.56 168.35 10.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.074 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 161' ' ' GLU . 91.6 mt -124.19 156.76 31.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.18 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.482 ' N ' HG22 ' A' ' 160' ' ' ILE . 6.5 tt0 -135.72 137.39 41.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.746 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.501 HD13 ' CG2' ' A' ' 5' ' ' ILE . 15.5 tp -124.18 126.16 45.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.801 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -127.27 170.2 12.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.956 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.712 ' HD2' HD21 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -118.79 157.25 27.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.776 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 40.7 t -134.29 119.42 18.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.666 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 92.4 m -134.81 99.41 4.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.086 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 71.5 mt -70.84 123.51 22.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.983 0.42 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 43.3 p -123.58 155.77 65.48 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.609 0.718 . . . . 0.0 111.317 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -47.82 -32.99 18.37 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.835 2.357 . . . . 0.0 112.442 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -80.55 -26.53 37.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.718 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 153.58 170.38 19.62 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.57 127.42 14.72 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.7 2.266 . . . . 0.0 112.377 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 38.1 mm -100.03 127.17 53.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.845 0.355 . . . . 0.0 111.087 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -125.63 119.69 28.74 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.069 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -143.73 144.14 31.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.837 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.18 140.89 40.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.208 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.712 HD21 ' HD2' ' A' ' 164' ' ' LYS . 17.7 mt -106.16 -38.39 6.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -162.04 137.79 7.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.055 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -128.12 112.47 14.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.442 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 2.1 m-85 -91.05 97.83 11.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.052 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -100.14 131.76 45.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.793 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.565 HD11 ' O ' ' A' ' 158' ' ' GLU . 26.5 mt -85.48 -55.42 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 10.8 t -45.61 150.45 0.5 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.019 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -129.11 160.88 31.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.645 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 66.48 29.55 9.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -55.16 122.32 10.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -72.53 144.12 48.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -174.37 150.73 1.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -98.78 -46.53 5.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.932 0.396 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.833 -179.893 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.409 ' HE3' ' HB ' ' A' ' 49' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.628 0.251 . . . . 0.0 110.773 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -94.67 80.12 3.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.967 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -88.01 154.03 20.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.759 ' O ' HD12 ' A' ' 162' ' ' LEU . 7.5 p90 -167.52 142.18 3.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.734 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.616 ' CD1' HD13 ' A' ' 107' ' ' ILE . 44.3 pt -85.56 140.57 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.028 0.442 . . . . 0.0 111.242 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.457 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -135.89 154.12 51.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.821 HG21 HG22 ' A' ' 157' ' ' VAL . 88.1 mt -104.17 114.82 44.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.245 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -37.94 140.6 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.792 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.6 m -123.57 91.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.038 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.0 t -44.53 169.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.936 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -50.36 -35.89 30.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.3 p -40.4 -37.74 0.72 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.027 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.3 t -97.7 -56.87 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.534 ' O ' HG23 ' A' ' 18' ' ' VAL . 27.4 mtt180 -41.93 -62.08 0.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.742 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.89 -40.7 66.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.99 -64.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.144 0.497 . . . . 0.0 111.256 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.9 mt -49.79 -46.05 50.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 14' ' ' ARG . 95.1 t -58.52 -41.87 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.239 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -51.51 -41.82 61.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.482 ' HB1' ' CD2' ' A' ' 147' ' ' LEU . . . -67.01 -49.85 64.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.059 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.542 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 50.1 mt-30 -47.33 -62.16 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.993 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' GLN . 31.1 t70 -36.64 -42.29 0.35 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.989 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -74.64 -41.25 60.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 21' ' ' GLN . 96.2 mt -55.14 -51.54 53.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.87 162.41 1.42 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.245 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 76.0 p -131.85 42.86 3.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.979 0.418 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.7 tttt -88.7 -56.64 3.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.0 mp0 -77.41 -51.66 10.42 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.7 143.21 30.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.205 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -94.55 91.76 6.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.717 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.1 mt -115.75 111.14 34.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.128 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.72 89.47 3.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.542 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 14.2 m-85 -57.53 -179.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.706 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.519 HG12 ' HB2' ' A' ' 38' ' ' ASN . 84.8 t -120.73 144.77 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.066 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.476 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 48.4 mt-10 -37.42 156.26 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.805 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.517 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 14.0 mtt85 -66.29 -45.33 80.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -85.47 24.08 1.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.959 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.519 ' HB2' HG12 ' A' ' 34' ' ' VAL . 2.8 m-80 -121.86 9.12 9.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.517 ' CE2' ' HA ' ' A' ' 36' ' ' ARG . 30.2 m-85 -86.6 6.94 28.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.586 ' CE1' ' HD2' ' A' ' 163' ' ' LYS . 5.4 p-80 -49.24 135.6 16.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.714 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.482 HG12 HD11 ' A' ' 126' ' ' ILE . 38.0 mt -75.29 115.89 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.218 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 45.9 m -66.22 95.29 0.29 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.202 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.637 HD12 HD11 ' A' ' 7' ' ' ILE . 5.2 tt -56.05 -50.58 70.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.014 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.604 ' HB3' HD11 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -155.1 119.03 4.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.835 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -71.83 136.92 47.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.82 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.581 ' CB ' HD11 ' A' ' 49' ' ' ILE . 12.2 mt -103.4 -65.2 1.02 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.838 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.87 -127.56 8.01 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.367 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.449 ' C ' HG13 ' A' ' 49' ' ' ILE . 3.1 tp10 -77.94 128.1 33.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.94 0.4 . . . . 0.0 110.764 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.967 HD12 ' HB3' ' A' ' 3' ' ' ALA . 13.3 mt -148.43 146.71 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.046 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.3 p -94.99 145.86 24.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -43.55 -33.25 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.049 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -69.87 -71.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -40.43 -35.27 0.42 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.055 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.511 ' HA ' HD13 ' A' ' 57' ' ' ILE . . . -41.58 -54.3 3.25 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.057 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -48.74 -36.44 16.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 110.823 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 57' ' ' ILE . 4.6 tp10 -58.7 -63.06 1.43 Allowed 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.946 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.823 HG13 HD21 ' A' ' 111' ' ' LEU . 4.0 mp -36.6 -59.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 178' ' ' ALA . 58.9 mttt -43.5 -58.78 2.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -47.67 -42.4 24.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.992 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.76 -54.01 41.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.276 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 53.8 mt -53.51 -41.85 66.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.112 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -51.86 -41.68 62.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -77.74 -48.61 16.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.871 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.566 HD12 HG12 ' A' ' 107' ' ' ILE . 8.0 mt -57.23 -62.19 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.03 0.443 . . . . 0.0 111.063 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.69 -15.2 0.43 Allowed 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -90.32 -51.06 5.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.042 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.534 ' HZ1' ' HE1' ' A' ' 68' ' ' TYR . 6.9 pttp -68.15 -9.5 47.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.534 ' HE1' ' HZ1' ' A' ' 67' ' ' LYS . 41.4 m-85 -110.37 155.1 22.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.027 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -99.06 178.76 4.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.058 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.474 ' CE ' ' HG2' ' A' ' 158' ' ' GLU . 6.6 ptmt -112.54 106.5 14.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.862 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.503 ' O ' HG23 ' A' ' 156' ' ' ILE . 63.4 t60 -99.42 173.7 6.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.019 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.448 ' CB ' HG12 ' A' ' 156' ' ' ILE . 0.4 OUTLIER -112.31 132.28 55.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.8 m -130.6 169.48 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.989 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.446 ' HB2' ' CD ' ' A' ' 95' ' ' GLU . 2.7 m120 -113.13 154.98 25.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.0 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.502 HG13 ' HB2' ' A' ' 152' ' ' PHE . 2.7 p -125.85 125.01 67.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.234 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.507 ' NE ' ' O ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -174.35 175.16 2.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.799 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.95 136.77 0.14 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.479 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.574 HG23 ' O ' ' A' ' 91' ' ' TRP . 68.3 mt -133.35 133.94 57.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.332 . . . . 0.0 111.191 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.61 172.85 16.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.563 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.6 m -140.06 156.16 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.778 0.323 . . . . 0.0 111.261 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.55 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 10.6 m-85 -138.36 152.34 71.17 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.568 0.699 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 55.4 Cg_endo -69.36 -28.57 6.04 Favored 'Cis proline' 0 CA--C 1.523 -0.04 0 C-N-CA 122.802 -1.749 . . . . 0.0 112.372 -0.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -158.37 161.19 29.03 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 121.664 0.745 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -47.77 -60.1 1.0 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.741 2.294 . . . . 0.0 112.304 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -39.89 -40.08 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.782 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -130.8 89.01 2.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.067 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 86.7 t -83.66 129.67 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.6 mmm-85 -125.25 -40.42 2.13 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.474 HG22 ' HG3' ' A' ' 130' ' ' ARG . 67.2 t -127.77 126.02 66.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.093 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 70.1 mt -93.68 130.53 42.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.574 ' O ' HG23 ' A' ' 78' ' ' ILE . 60.0 p-90 -146.04 146.06 30.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.979 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -94.81 167.03 11.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.254 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -129.18 155.1 20.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.588 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 89.6 t -117.54 146.12 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.909 0.385 . . . . 0.0 111.182 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.516 ' O ' ' C ' ' A' ' 96' ' ' ASN . 3.2 pt-20 -72.28 -175.6 1.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.077 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.516 ' C ' ' O ' ' A' ' 95' ' ' GLU . 0.6 OUTLIER -27.94 108.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.41 ' OD2' ' HB3' ' A' ' 124' ' ' ALA . 1.2 p30 -122.41 52.07 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 101' ' ' LYS . 43.5 mt-10 -51.98 -70.42 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.477 HD13 ' HE3' ' A' ' 102' ' ' LYS . 21.4 mm -36.92 -54.89 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.826 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.462 HG23 ' HG ' ' A' ' 43' ' ' LEU . 45.1 mt -58.31 -38.94 72.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.934 0.397 . . . . 0.0 111.096 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 98' ' ' GLU . 47.0 mtpt -67.04 -57.85 6.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.014 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.477 ' HE3' HD13 ' A' ' 99' ' ' ILE . 14.1 ptpt -52.17 -43.18 63.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.678 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.531 HG12 ' CG ' ' A' ' 68' ' ' TYR . 96.0 mt -67.15 -43.46 88.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.44 -38.93 66.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.0 tttt -67.09 -38.57 85.92 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.827 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.484 ' HG3' ' CE ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -67.37 -43.5 81.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.067 0.461 . . . . 0.0 110.983 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.616 HD13 ' CD1' ' A' ' 5' ' ' ILE . 32.3 mt -61.43 -42.49 94.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.172 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -76.06 -30.82 58.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.134 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.8 -51.53 68.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.642 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -64.13 -52.96 56.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.83 HD23 HD12 ' A' ' 114' ' ' LEU . 24.6 mt -51.03 -36.58 40.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.713 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.7 -35.42 0.48 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.194 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -47.59 48.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.754 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.83 HD12 HD23 ' A' ' 111' ' ' LEU . 27.9 mt -61.84 -7.79 4.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 106.79 56.61 0.63 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.546 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.539 ' CG ' ' HB3' ' A' ' 111' ' ' LEU . 11.6 m-85 -130.24 173.25 10.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.032 0.444 . . . . 0.0 110.913 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -126.69 137.76 53.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.961 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -109.64 141.8 41.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.987 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 120' ' ' GLY . 4.6 tp10 -99.25 122.79 42.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.075 0.464 . . . . 0.0 110.817 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 119' ' ' GLU . . . -37.81 -63.82 0.83 Allowed Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -99.59 129.18 45.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.889 0.376 . . . . 0.0 110.828 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.55 ' CZ ' ' O ' ' A' ' 43' ' ' LEU . 34.7 t80 -95.11 153.52 17.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.81 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 91.0 t -136.33 121.68 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.177 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.41 ' HB3' ' OD2' ' A' ' 97' ' ' ASP . . . -95.75 104.91 16.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.037 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.54 ' C ' HD12 ' A' ' 126' ' ' ILE . 5.4 p-80 -140.65 167.64 21.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.54 HD12 ' C ' ' A' ' 125' ' ' HIS . 4.4 mp -137.43 106.31 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.908 0.385 . . . . 0.0 111.052 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 93.2 m -63.53 109.4 1.63 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 65.3 mt -74.95 -37.14 62.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.12 0.486 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 172.41 170.19 35.94 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.504 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.474 ' HG3' HG22 ' A' ' 89' ' ' VAL . 2.3 mpp_? -110.09 147.46 33.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.701 0.286 . . . . 0.0 111.114 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.0 t -90.81 114.46 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.932 0.396 . . . . 0.0 111.19 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.407 ' N ' ' HD2' ' A' ' 132' ' ' LYS . 0.0 OUTLIER -82.23 -55.83 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.899 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -163.9 135.55 4.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.635 HG11 HD11 ' A' ' 140' ' ' LEU . 2.4 p -132.38 152.85 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.278 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 34.6 tttp -107.92 -46.09 3.85 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.765 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -89.52 101.46 14.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.984 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 138' ' ' LEU . 3.1 mmmm -67.35 -57.71 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.775 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 137' ' ' LYS . 40.7 mt -37.86 -51.15 1.3 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.039 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -46.37 -41.38 11.91 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.632 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.635 HD11 HG11 ' A' ' 134' ' ' VAL . 76.8 mt -56.07 -59.14 5.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.995 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.2 -58.36 6.19 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.12 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.6 mmt -44.47 -33.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.752 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -78.51 -54.18 6.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.963 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 148' ' ' ALA . 40.6 mt -39.57 -57.72 1.42 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.828 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm -40.17 -41.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -68.34 -40.5 81.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.044 0.45 . . . . 0.0 110.798 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.482 ' CD2' ' HB1' ' A' ' 20' ' ' ALA . 4.8 mp -108.83 30.94 6.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.959 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 144' ' ' LEU . . . -75.78 -49.83 16.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.094 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -133.07 25.69 4.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -56.47 132.21 50.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -76.74 130.4 37.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.009 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.502 ' HB2' HG13 ' A' ' 75' ' ' VAL . 18.7 m-85 -102.57 -37.18 8.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.846 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 138.87 -164.54 25.77 Favored Glycine 0 CA--C 1.512 -0.13 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.524 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.2 p -132.02 174.19 10.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.841 0.353 . . . . 0.0 110.981 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -175.37 144.17 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.671 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.503 HG23 ' O ' ' A' ' 71' ' ' HIS . 50.2 mt -99.03 126.39 52.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.964 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.821 HG22 HG21 ' A' ' 7' ' ' ILE . 53.4 t -71.93 92.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.139 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.507 ' HB3' HD12 ' A' ' 182' ' ' LEU . 3.6 mt-10 -93.91 -68.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.797 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.655 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -99.44 169.7 9.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.111 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 16.9 mt -140.49 154.2 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -146.98 135.96 22.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.007 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.759 HD12 ' O ' ' A' ' 4' ' ' PHE . 12.5 tp -94.22 132.63 38.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.586 ' HD2' ' CE1' ' A' ' 40' ' ' HIS . 10.6 mttm -117.73 144.13 45.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.436 ' HD3' HD21 ' A' ' 177' ' ' LEU . 11.6 pttm -111.62 145.53 39.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.066 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 28.8 t -125.33 124.67 42.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.134 0.492 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 66.3 m -137.38 105.35 5.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.005 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.44 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 23.7 mt -71.19 131.61 43.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 47.1 p -134.39 155.8 79.46 Favored Pre-proline 0 C--O 1.235 0.329 0 CA-C-O 121.498 0.666 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_exo -47.95 -33.08 19.3 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.745 2.297 . . . . 0.0 112.452 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -80.26 -24.51 40.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 149.98 172.12 19.06 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.379 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . 0.44 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 55.2 Cg_endo -69.6 132.03 22.72 Favored 'Trans proline' 0 CA--C 1.529 0.232 0 C-N-CA 122.832 2.355 . . . . 0.0 112.264 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 48.9 mm -99.18 130.28 48.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.019 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . 0.441 ' CD2' ' OD1' ' A' ' 38' ' ' ASN . 5.5 m-85 -136.22 118.94 16.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -156.16 145.22 20.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 14.5 m -74.75 134.38 41.86 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.436 HD21 ' HD3' ' A' ' 164' ' ' LYS . 20.5 mt -98.52 -32.48 11.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.43 ' HB1' ' CZ ' ' A' ' 180' ' ' PHE . . . -141.24 128.51 21.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.026 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' ARG . . . . . 0.405 ' NH2' ' HB2' ' A' ' 181' ' ' GLU . 0.0 OUTLIER -118.26 105.03 11.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.973 0.416 . . . . 0.0 110.849 -179.798 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.655 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 11.0 m-85 -101.62 98.04 8.39 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.744 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . 0.405 ' HB2' ' NH2' ' A' ' 179' ' ' ARG . 0.7 OUTLIER -100.2 135.73 41.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.507 HD12 ' HB3' ' A' ' 158' ' ' GLU . 25.5 mt -76.74 -65.93 0.88 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.905 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 3.0 t -170.82 177.1 3.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.704 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -103.13 136.5 42.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.006 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -133.84 -64.68 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -50.27 125.09 11.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -90.51 41.5 1.06 Allowed 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.682 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 56.72 37.13 28.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 40.76 43.46 1.67 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.774 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 3.7 t60 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.92 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.544 ' HE2' ' HB ' ' A' ' 49' ' ' ILE . 6.3 ptt? . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.802 0.334 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -87.07 71.34 10.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 1.05 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -69.74 140.57 53.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.584 ' O ' HD12 ' A' ' 162' ' ' LEU . 3.3 p90 -156.11 139.4 15.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.737 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.503 ' CG2' HD13 ' A' ' 162' ' ' LEU . 44.1 pt -93.33 144.07 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.09 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.598 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -141.25 161.37 38.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.853 HG21 HG22 ' A' ' 157' ' ' VAL . 52.9 mt -104.71 138.68 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.067 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -59.21 141.63 53.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.009 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 9' ' ' VAL . 11.4 m -123.37 89.58 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.93 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.4 t -41.34 162.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.649 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -46.52 -44.31 17.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.0 p -39.75 -33.24 0.18 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.755 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.445 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 76.5 t -95.48 -55.05 6.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.0 mtt180 -42.45 -63.79 0.71 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.732 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -35.82 69.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -58.76 -52.54 65.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.1 mt -63.47 -48.57 77.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -57.21 -40.81 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.019 0.437 . . . . 0.0 111.232 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.8 ttm-85 -48.7 -45.37 39.08 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.34 -49.01 71.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.251 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.582 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 45.2 mt-30 -45.43 -58.4 3.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.18 -42.59 2.1 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -74.15 -43.26 58.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.3 mt -53.09 -50.85 43.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.917 0.389 . . . . 0.0 111.005 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.95 151.76 0.02 OUTLIER Glycine 0 C--O 1.228 -0.242 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.46 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 90.7 p -115.57 41.5 2.49 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.018 0.437 . . . . 0.0 110.96 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -83.4 -59.76 2.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -76.62 -48.42 19.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.89 151.27 21.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.038 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -105.36 84.77 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.807 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.426 HG12 HG22 ' A' ' 131' ' ' VAL . 38.1 mt -108.79 134.35 51.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.079 0.466 . . . . 0.0 111.027 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -97.13 90.95 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.946 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.582 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 16.5 m-85 -60.67 174.86 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.74 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.582 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 40.6 t -123.41 148.64 27.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.06 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -41.0 159.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.837 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -44.93 68.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.992 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.1 22.48 0.96 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.997 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -125.11 9.09 8.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.582 ' CZ ' ' O ' ' A' ' 34' ' ' VAL . 20.9 m-85 -93.24 4.59 53.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.013 0.435 . . . . 0.0 110.959 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.598 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 1.1 p-80 -46.79 123.0 4.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 66.1 mt -50.97 115.18 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.237 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.1 m -70.05 81.84 0.5 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.992 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -39.51 -57.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.526 ' HE3' HD23 ' A' ' 46' ' ' LEU . 29.0 tttp -151.73 141.36 21.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -93.41 139.62 30.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.81 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.526 HD23 ' HE3' ' A' ' 44' ' ' LYS . 8.7 mt -110.32 -63.37 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.965 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 106.11 -130.07 10.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.457 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -71.47 132.5 44.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.877 0.37 . . . . 0.0 110.769 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.05 HD12 ' HB3' ' A' ' 3' ' ' ALA . 35.5 mt -149.19 145.0 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.25 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' GLU . 19.1 p -88.03 135.99 33.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.131 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -39.53 -27.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.98 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' THR . 18.3 mt-10 -76.06 -62.16 1.69 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.41 -33.09 52.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.157 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -40.15 -39.66 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' A' ' 56' ' ' GLU . 7.7 pt-20 -71.08 -43.27 68.08 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 55' ' ' GLU . 0.7 OUTLIER -48.36 -38.09 18.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.94 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.637 HG13 HD21 ' A' ' 111' ' ' LEU . 1.8 mp -61.84 -40.61 87.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.186 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.593 ' HE3' HD23 ' A' ' 162' ' ' LEU . 4.6 mptt -61.41 -66.63 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.116 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 58' ' ' LYS . 58.6 mmtt -34.86 -51.34 0.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.038 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 90.3 mt -53.91 -51.99 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.44 -35.87 80.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.971 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 66' ' ' LYS . 5.9 tp10 -49.66 -31.08 10.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.126 0.488 . . . . 0.0 111.009 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 59' ' ' LYS . 1.4 mptp? -94.36 -46.89 6.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.699 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.84 HG21 HG23 ' A' ' 103' ' ' ILE . 46.3 mt -50.76 -48.94 27.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.158 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.443 ' HB2' HD12 ' A' ' 160' ' ' ILE . . . -60.73 -10.19 5.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -101.29 -52.63 3.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.822 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.408 ' CG ' ' HA ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -63.66 -9.41 13.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -116.49 156.54 26.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.998 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -107.03 -177.47 3.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.434 ' HB2' HG22 ' A' ' 156' ' ' ILE . 0.0 OUTLIER -115.1 106.25 13.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.612 ' CE1' ' CG1' ' A' ' 73' ' ' VAL . 0.6 OUTLIER -93.34 157.55 16.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.809 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -94.44 102.87 14.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.073 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.612 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 35.3 m -105.0 172.1 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.998 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -121.17 160.77 23.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.647 HG13 ' HB2' ' A' ' 152' ' ' PHE . 3.0 p -124.08 109.64 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.172 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.5 ttp85 -157.8 143.56 17.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.81 145.84 15.37 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.533 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 91' ' ' TRP . 43.2 mt -142.16 133.16 25.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-O 120.826 0.346 . . . . 0.0 111.098 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.446 ' HA3' ' CH2' ' A' ' 91' ' ' TRP . . . -113.98 166.38 12.14 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.56 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.3 m -134.56 166.79 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.109 0.481 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.544 ' CD2' ' NE1' ' A' ' 91' ' ' TRP . 13.4 m-85 -150.62 152.62 32.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.678 0.752 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.6 Cg_endo -69.7 -20.36 10.73 Favored 'Cis proline' 0 C--N 1.343 0.242 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.538 -0.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -166.41 161.62 12.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.555 0.693 . . . . 0.0 110.914 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -48.09 -62.72 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.213 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -38.49 -39.23 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -132.68 93.03 3.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.992 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.4 t -86.54 130.59 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.261 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -124.1 -36.49 2.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.012 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.48 HG22 ' CD ' ' A' ' 130' ' ' ARG . 89.2 t -133.62 123.02 44.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.045 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 63.9 mt -91.2 129.98 41.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.094 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.544 ' NE1' ' CD2' ' A' ' 81' ' ' PHE . 40.0 p-90 -145.01 143.96 30.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.885 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -94.38 167.48 11.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.44 155.72 18.3 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.623 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 87.8 t -111.0 145.03 17.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.746 0.307 . . . . 0.0 111.017 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.512 ' O ' ' C ' ' A' ' 96' ' ' ASN . 35.8 mt-10 -70.98 -176.57 1.4 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.801 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.512 ' C ' ' O ' ' A' ' 95' ' ' GLU . 1.0 OUTLIER -27.3 101.06 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.981 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.539 ' HB2' HD12 ' A' ' 100' ' ' ILE . 2.0 p30 -118.1 51.98 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.691 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -52.28 -70.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.714 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.438 ' HB ' ' CE1' ' A' ' 71' ' ' HIS . 43.8 mm -40.15 -61.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.178 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.539 HD12 ' HB2' ' A' ' 97' ' ' ASP . 75.9 mt -42.55 -40.62 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -63.65 -44.97 92.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.971 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -58.99 -57.39 13.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.84 HG23 HG21 ' A' ' 64' ' ' ILE . 81.2 mt -54.93 -37.47 41.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.47 -39.61 88.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.991 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -76.02 -34.22 59.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -69.93 -41.48 74.54 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.777 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.54 ' CD1' HG22 ' A' ' 103' ' ' ILE . 64.0 mt -60.46 -38.2 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 109' ' ' ASP . 21.9 t0 -79.22 -51.42 9.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.691 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 108' ' ' ASP . 1.9 t70 -34.17 -39.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.099 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -79.68 -52.98 7.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.673 HD23 HD12 ' A' ' 114' ' ' LEU . 49.8 mt -49.4 -45.97 46.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.839 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 111' ' ' LEU . . . -34.55 -35.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.981 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 111' ' ' LEU . 0.3 OUTLIER -74.02 -46.08 45.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.836 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.673 HD12 HD23 ' A' ' 111' ' ' LEU . 42.7 mt -63.25 -25.86 68.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.061 0.457 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 122.01 62.97 0.22 Allowed Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.435 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.461 ' CG ' ' HB3' ' A' ' 111' ' ' LEU . 37.2 m-85 -136.19 151.97 50.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.759 0.314 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 118' ' ' LYS . 20.3 tptt -87.89 146.98 25.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.799 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 117' ' ' LYS . 9.7 ttmt -115.07 138.79 50.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.04 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -99.88 123.38 44.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -43.19 -66.66 1.13 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -99.96 146.37 26.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.875 0.369 . . . . 0.0 111.008 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -99.94 149.49 23.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.68 121.07 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.176 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.19 105.81 17.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -141.02 165.12 28.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.925 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.55 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.1 mp -136.81 108.72 6.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.055 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 85.2 m -62.85 115.9 4.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.953 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 40.8 mt -79.67 -36.45 37.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.012 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -179.48 -174.49 45.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.472 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.48 ' CD ' HG22 ' A' ' 89' ' ' VAL . 3.9 mmm180 -121.53 137.11 54.87 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.799 0.333 . . . . 0.0 110.948 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.426 HG22 HG12 ' A' ' 31' ' ' ILE . 58.5 t -89.28 110.82 22.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.271 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.81 -56.69 3.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.811 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -155.07 135.06 12.95 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.404 HG11 HD21 ' A' ' 140' ' ' LEU . 2.6 p -139.75 147.93 23.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.283 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -107.35 -51.03 2.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -66.49 88.28 0.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.821 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -58.67 -62.05 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 63.6 mt -42.14 -43.58 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -47.51 -46.12 23.16 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.658 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.404 HD21 HG11 ' A' ' 134' ' ' VAL . 42.8 mt -45.98 -56.27 5.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.996 0.426 . . . . 0.0 111.078 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -73.52 -61.24 1.9 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.223 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 141' ' ' ALA . 13.6 mmt -37.12 -43.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.795 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -71.4 -58.28 3.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 37.0 mt -37.57 -59.76 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.004 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp -42.88 -53.33 4.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -56.2 -43.91 78.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.791 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.9 mp -95.05 33.27 1.54 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.747 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -98.88 -35.05 10.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.145 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 150' ' ' GLU . 2.3 m120 -112.18 -26.28 8.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 149' ' ' ASN . 8.5 tm-20 -35.94 106.47 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.81 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -67.04 146.93 53.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.72 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.647 ' HB2' HG13 ' A' ' 75' ' ' VAL . 36.7 m-85 -109.01 -36.61 6.03 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 140.19 -167.44 25.45 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 36.3 p -137.61 168.1 20.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.822 0.344 . . . . 0.0 110.986 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -171.94 160.67 5.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.804 0.335 . . . . 0.0 111.049 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.434 HG22 ' HB2' ' A' ' 70' ' ' LYS . 66.9 mt -110.65 125.07 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-O 120.986 0.422 . . . . 0.0 111.207 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.853 HG22 HG21 ' A' ' 7' ' ' ILE . 53.2 t -76.77 97.93 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.246 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.517 ' HB3' HD12 ' A' ' 182' ' ' LEU . 19.6 mt-10 -100.18 -63.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -93.81 165.98 12.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . 0.443 HD12 ' HB2' ' A' ' 65' ' ' ALA . 34.7 mt -126.43 142.46 42.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.28 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -122.28 153.64 38.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.078 0.466 . . . . 0.0 110.704 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.593 HD23 ' HE3' ' A' ' 58' ' ' LYS . 13.2 tp -143.38 134.3 25.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.957 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -140.06 156.51 46.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.047 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.647 ' HB3' HD11 ' A' ' 177' ' ' LEU . 3.3 pttp -113.58 143.08 45.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 5.9 m -120.72 120.13 34.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.163 0.506 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 97.8 m -135.27 102.42 5.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.07 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 167' ' ' LEU . 11.6 mt -68.35 134.69 50.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 46.4 p -137.76 155.29 75.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.556 0.693 . . . . 0.0 111.521 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -47.99 -31.56 16.15 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.302 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -80.08 -33.43 38.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 158.06 171.66 24.26 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.454 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.64 128.24 15.85 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.551 2.168 . . . . 0.0 112.316 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 46.5 mm -98.28 119.43 46.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.978 0.418 . . . . 0.0 111.129 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -128.79 113.27 15.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.499 ' CG ' ' HE3' ' A' ' 164' ' ' LYS . 4.1 pt-20 -144.67 148.99 34.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 3.5 m -76.6 144.72 39.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.184 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.647 HD11 ' HB3' ' A' ' 164' ' ' LYS . 61.8 mt -112.2 -35.51 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.549 ' HB2' ' CE ' ' A' ' 58' ' ' LYS . . . -147.31 133.29 19.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -135.96 109.45 7.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -111.95 97.86 6.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -100.23 125.83 46.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' A' ' 158' ' ' GLU . 10.2 mt -79.95 -63.07 1.5 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 96.9 p -131.63 154.87 48.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.024 0.44 . . . . 0.0 110.644 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 29.1 mp0 -50.73 -63.98 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.829 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -166.43 160.84 15.91 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.653 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -111.3 168.64 9.37 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -117.21 167.35 11.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.994 0.426 . . . . 0.0 110.883 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -174.83 150.87 1.32 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.725 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 52.7 t60 71.5 42.1 0.69 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 27.4 m170 . . . . . 0 C--O 1.234 0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.812 -179.947 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 ptt? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.948 0.404 . . . . 0.0 110.719 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -91.64 70.01 5.76 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.958 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . . . -67.34 152.75 45.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.082 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.656 ' O ' HD12 ' A' ' 162' ' ' LEU . 19.8 p90 -168.73 140.84 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.629 HD11 ' HB3' ' A' ' 44' ' ' LYS . 30.9 pt -91.06 147.79 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.164 0.507 . . . . 0.0 111.049 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.59 ' HB1' ' HB2' ' A' ' 40' ' ' HIS . . . -146.31 169.04 19.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.041 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.111 HG21 HG22 ' A' ' 157' ' ' VAL . 63.0 mt -113.62 120.01 62.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.202 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -49.31 126.67 13.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 m -105.36 91.06 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.0 t -41.48 163.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' SER . 34.4 mm-40 -47.97 -44.94 30.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' GLU . 78.1 p -36.93 -46.94 0.67 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.635 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 84.4 t -83.11 -57.0 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -38.67 -63.87 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.25 -27.51 55.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.859 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -63.18 -55.9 21.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.468 ' HA ' ' CE1' ' A' ' 152' ' ' PHE . 72.0 mt -63.62 -47.92 79.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.725 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.715 HG21 ' HD3' ' A' ' 36' ' ' ARG . 87.0 t -55.71 -36.88 44.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.999 0.428 . . . . 0.0 111.186 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.5 ttm-85 -52.95 -46.0 67.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.804 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.478 ' HB1' HD21 ' A' ' 147' ' ' LEU . . . -65.05 -46.17 82.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.68 ' NE2' ' CD1' ' A' ' 33' ' ' PHE . 49.1 mt-30 -46.46 -58.02 4.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -42.03 -38.99 1.79 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.752 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -74.32 -31.09 62.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 21' ' ' GLN . 67.4 mt -70.4 -60.83 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.47 156.95 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.343 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.4 p -112.02 55.34 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.99 0.424 . . . . 0.0 111.032 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -84.65 -50.7 7.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.492 ' HG2' ' N ' ' A' ' 29' ' ' ALA . 2.0 pm0 -99.35 -40.99 7.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.492 ' N ' ' HG2' ' A' ' 28' ' ' GLU . . . -100.91 152.92 19.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.094 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -105.78 105.64 15.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.726 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.6 mt -133.14 130.24 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.173 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -99.62 100.66 11.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.68 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 20.8 m-85 -67.26 175.04 2.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.785 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.551 ' HB ' ' CE1' ' A' ' 39' ' ' PHE . 49.1 t -113.98 148.75 16.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.078 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -46.06 170.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.833 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.715 ' HD3' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -77.22 -41.8 39.87 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.935 -179.873 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -85.31 25.68 0.98 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.412 ' OD1' ' CD2' ' A' ' 174' ' ' TYR . 3.1 m-80 -131.96 12.13 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.792 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.551 ' CE1' ' HB ' ' A' ' 34' ' ' VAL . 17.3 m-85 -97.62 6.43 48.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.996 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.59 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 2.4 p-80 -53.42 124.47 14.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 62.1 mt -55.47 118.15 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.216 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.5 m -71.45 87.21 0.87 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.181 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 tt -47.41 -54.19 11.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.629 ' HB3' HD11 ' A' ' 5' ' ' ILE . 1.3 tmtp? -152.81 121.32 6.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -77.97 131.61 37.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.603 ' CB ' HD11 ' A' ' 49' ' ' ILE . 12.7 mt -99.99 -65.78 0.94 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.765 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.87 -129.67 9.92 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.607 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.25 125.14 23.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.9 0.381 . . . . 0.0 110.979 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.958 ' CD1' ' HB3' ' A' ' 3' ' ' ALA . 38.4 mt -147.84 153.0 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.402 ' N ' HG22 ' A' ' 49' ' ' ILE . 61.8 p -102.2 146.33 28.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -48.78 -20.21 0.45 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -85.98 -69.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.536 ' OE1' HD22 ' A' ' 114' ' ' LEU . 15.3 mm-40 -42.88 -29.5 0.33 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.08 -52.0 22.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.16 -26.31 66.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 0.8 OUTLIER -64.53 -42.78 95.55 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.785 -179.813 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.94 HG13 HD21 ' A' ' 111' ' ' LEU . 2.5 mp -62.94 -45.21 99.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.265 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.459 ' CE ' ' HB2' ' A' ' 178' ' ' ALA . 50.9 mttp -44.99 -64.46 0.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.03 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 56' ' ' GLU . 14.9 ptmt -49.34 -44.74 44.84 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.899 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 57' ' ' ILE . 82.1 mt -55.36 -45.21 77.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 62' ' ' GLU . 41.9 mt -70.87 -56.58 5.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.791 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 61' ' ' LEU . 23.5 tp10 -36.3 -36.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.802 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -83.98 -51.49 7.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.839 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 80.1 mt -53.79 -57.23 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.361 . . . . 0.0 111.187 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.458 ' HB2' HD12 ' A' ' 160' ' ' ILE . . . -59.75 -9.06 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.122 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -97.65 -35.24 10.65 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.506 ' HG3' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -78.39 -17.6 56.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.981 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.509 ' CG ' HG12 ' A' ' 103' ' ' ILE . 50.4 m-85 -103.29 158.22 16.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -99.99 -178.74 3.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.034 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.571 ' HB2' HG22 ' A' ' 156' ' ' ILE . 0.0 OUTLIER -117.56 109.25 16.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.069 0.461 . . . . 0.0 111.052 179.691 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -98.34 137.53 36.92 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.771 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -74.3 99.92 3.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.815 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.9 m -99.13 175.59 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 75' ' ' VAL . 6.6 t-20 -127.8 163.32 24.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.055 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.479 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 1.5 p -126.93 116.0 43.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.317 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -158.41 149.56 20.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.862 -179.811 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.462 ' N ' ' HD3' ' A' ' 76' ' ' ARG . . . 92.2 144.4 13.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.308 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.597 HG23 ' O ' ' A' ' 91' ' ' TRP . 96.5 mt -140.02 141.69 33.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.794 0.33 . . . . 0.0 111.16 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.3 174.47 15.42 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.465 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.434 HG21 ' HA ' ' A' ' 84' ' ' PRO . 33.6 m -139.27 161.58 28.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.849 0.357 . . . . 0.0 111.049 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.705 ' CE2' ' CZ2' ' A' ' 91' ' ' TRP . 12.0 m-85 -143.13 154.16 60.98 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 121.667 0.746 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 81' ' ' PHE . 54.4 Cg_endo -69.61 -20.38 10.62 Favored 'Cis proline' 0 C--N 1.343 0.279 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.315 -0.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -165.52 160.42 13.86 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.538 0.685 . . . . 0.0 110.964 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.434 ' HA ' HG21 ' A' ' 80' ' ' VAL . 63.4 Cg_exo -47.8 -57.16 2.49 Favored 'Trans proline' 0 CA--C 1.526 0.09 0 C-N-CA 122.76 2.307 . . . . 0.0 112.395 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -41.34 -40.68 1.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.744 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -131.97 96.58 3.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.057 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.0 t -86.83 130.49 36.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -127.52 -35.26 2.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 94.2 t -135.39 122.13 34.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.067 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 64.3 mt -91.46 136.02 25.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.258 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.705 ' CZ2' ' CE2' ' A' ' 81' ' ' PHE . 29.7 p-90 -150.89 141.13 22.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.038 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.74 166.84 12.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.014 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -126.35 159.49 20.67 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.382 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 90.4 t -109.8 147.47 14.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.869 0.366 . . . . 0.0 111.166 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.509 ' O ' ' C ' ' A' ' 96' ' ' ASN . 5.0 mm-40 -70.87 -176.53 1.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.509 ' C ' ' O ' ' A' ' 95' ' ' GLU . 2.0 t30 -28.88 103.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.774 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.501 ' HB2' HD12 ' A' ' 100' ' ' ILE . 2.7 p30 -126.96 50.63 1.95 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.65 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -59.37 -50.03 75.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 42.7 mm -53.82 -40.44 43.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.204 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.501 HD12 ' HB2' ' A' ' 97' ' ' ASP . 55.3 mt -73.09 -15.05 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.136 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -85.87 -52.24 5.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.997 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -60.61 -35.19 75.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.022 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.509 HG12 ' CG ' ' A' ' 68' ' ' TYR . 86.4 mt -65.77 -49.24 78.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.047 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.426 ' CB ' ' CE2' ' A' ' 122' ' ' PHE . . . -55.62 -41.0 72.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.19 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -58.98 -35.56 73.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.776 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -72.86 -40.78 65.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 72.9 mt -66.18 -33.65 64.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.101 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.489 ' CG ' ' HZ2' ' A' ' 44' ' ' LYS . 20.2 t0 -82.13 -41.72 20.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.957 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -55.3 -27.93 50.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.718 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -85.14 -45.23 12.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 110.743 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.96 HD23 HD12 ' A' ' 114' ' ' LEU . 65.9 mt -62.96 -35.0 78.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -41.37 -34.26 0.5 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.036 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -73.74 -41.92 61.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.96 HD12 HD23 ' A' ' 111' ' ' LEU . 78.7 mt -63.18 -25.87 68.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 119.36 55.6 0.26 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.694 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 111' ' ' LEU . 78.4 m-85 -128.76 166.22 19.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.931 0.396 . . . . 0.0 110.905 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -85.45 150.54 24.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.811 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.76 115.23 24.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.817 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -88.89 116.3 27.07 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.47 -59.83 9.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.556 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -91.96 127.82 37.57 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.803 0.335 . . . . 0.0 110.822 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.426 ' CE2' ' CB ' ' A' ' 104' ' ' ALA . 11.2 t80 -98.95 142.76 30.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.026 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 84.4 t -143.33 131.89 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.66 110.6 23.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -144.66 161.12 39.96 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.829 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.548 ' N ' HD12 ' A' ' 126' ' ' ILE . 3.7 mp -134.55 100.21 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.052 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 86.6 m -54.29 118.91 4.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.939 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.408 ' O ' HG23 ' A' ' 34' ' ' VAL . 53.1 mt -80.8 -42.05 22.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 179.88 -171.4 42.9 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.545 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.447 ' N ' ' HD2' ' A' ' 130' ' ' ARG . 2.8 mpt_? -125.51 152.65 44.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.794 0.33 . . . . 0.0 110.975 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 88.7 t -101.51 121.66 52.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.291 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -92.53 -49.44 6.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 133' ' ' PHE . 4.7 p90 -163.06 139.38 7.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.696 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.4 p -139.23 148.74 23.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.983 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -104.14 -48.35 3.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.83 108.01 8.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -71.68 -65.59 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 32.3 mt -40.54 -44.83 2.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -45.31 -48.86 10.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.365 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 47.6 mt -45.97 -63.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.695 0.284 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 142' ' ' MET . . . -64.09 -62.92 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.241 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 141' ' ' ALA . 14.3 mmt -36.53 -45.31 0.49 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 146' ' ' GLU . 2.9 ttmm -68.23 -57.05 6.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.833 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 33.9 mt -37.87 -48.36 1.13 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.923 0.392 . . . . 0.0 110.986 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.46 ' N ' ' HE3' ' A' ' 145' ' ' LYS . 0.2 OUTLIER -56.41 -41.06 75.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.792 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.455 ' C ' HD12 ' A' ' 147' ' ' LEU . 7.8 mm-40 -63.68 -33.97 76.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.839 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.478 HD21 ' HB1' ' A' ' 20' ' ' ALA . 5.9 mp -112.03 38.55 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -98.72 -30.09 12.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.312 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 150' ' ' GLU . 2.3 m-80 -125.66 -13.27 6.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.675 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 149' ' ' ASN . 2.2 tt0 -37.55 131.05 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.944 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -84.17 144.93 28.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.468 ' CE1' ' HA ' ' A' ' 17' ' ' LEU . 37.6 m-85 -113.95 -33.87 5.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 133.91 -165.89 24.14 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.597 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 25.0 p -141.86 165.52 27.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.67 0.271 . . . . 0.0 110.954 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -168.25 173.47 7.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.571 HG22 ' HB2' ' A' ' 70' ' ' LYS . 56.3 mt -117.44 134.02 62.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 1.111 HG22 HG21 ' A' ' 7' ' ' ILE . 22.3 t -90.44 95.89 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.124 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.559 ' O ' HD11 ' A' ' 182' ' ' LEU . 11.0 mp0 -97.93 -70.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.81 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.431 ' HB1' ' O ' ' A' ' 180' ' ' PHE . . . -89.31 171.2 9.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.184 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . 0.458 HD12 ' HB2' ' A' ' 65' ' ' ALA . 78.5 mt -132.42 141.78 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -122.03 117.59 26.72 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.82 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 4' ' ' PHE . 14.9 tp -96.24 122.64 39.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.791 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.413 ' HD2' ' CE1' ' A' ' 40' ' ' HIS . 61.6 mttt -124.77 151.87 44.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.797 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.64 ' HB3' HD11 ' A' ' 177' ' ' LEU . 12.6 pttt -118.37 154.63 32.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.932 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 8.7 t -126.8 134.78 50.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 62.6 m -138.9 105.57 5.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.115 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.416 ' CD2' ' HB3' ' A' ' 172' ' ' PRO . 23.0 mt -72.61 130.92 41.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 81.2 p -133.39 156.35 79.84 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-O 121.509 0.671 . . . . 0.0 111.188 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -48.26 -32.02 18.5 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.719 2.279 . . . . 0.0 112.287 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.31 -27.48 38.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.82 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 152.73 173.04 21.74 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . 0.416 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . 53.0 Cg_endo -69.75 126.8 13.75 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.493 2.129 . . . . 0.0 112.386 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 7.7 mm -99.49 138.79 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.018 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . 0.412 ' CD2' ' OD1' ' A' ' 38' ' ' ASN . 5.6 m-85 -138.36 131.7 30.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.808 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -160.75 147.83 15.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.058 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 24.5 m -73.28 149.62 42.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.218 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.64 HD11 ' HB3' ' A' ' 164' ' ' LYS . 49.1 mt -107.45 -32.87 7.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.0 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.459 ' HB2' ' CE ' ' A' ' 58' ' ' LYS . . . -174.36 129.61 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.122 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.64 112.94 24.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.981 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.431 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 10.6 m-85 -96.26 97.57 9.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.763 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -100.18 153.83 18.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.559 HD11 ' O ' ' A' ' 158' ' ' GLU . 64.6 mt -104.12 -62.06 1.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 92.5 p -138.86 178.93 6.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.794 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -97.41 89.24 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -118.54 -58.24 1.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -81.79 100.78 9.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -91.93 98.49 11.61 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.69 143.23 30.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.941 0.4 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -53.36 102.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.833 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.005 179.929 . . . . . . . . 0 0 . 1 stop_ save_